(3R)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3S)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-4-methyl-3-pyridin-3-ylpentanamide

C199H252Cl2F10N40O8 — CID 167572198

IUPAC(3R)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3S)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-4-methyl-3-pyridin-3-ylpentanamide
SMILESCC(C)[C@@H](CC(=O)NC[C@H](Cc1ccc2[nH]ncc2c1)N(C)C)c1cccnc1.CN(C)[C@H](CNC(=O)C[C@@H](c1cccnc1)C1(C)CC1)Cc1ccc2[nH]ncc2c1.CN(C)[C@H](CNC(=O)C[C@@H](c1cncc(Cl)c1)C1(C(C)(F)F)CC1)Cc1ccc2[nH]ncc2c1.CN(C)[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C)CC1)Cc1ccc2[nH]ncc2c1.CN(C)[C@H](CNC(=O)C[C@H](c1cncc(Cl)c1)C1(C(C)(F)F)CC1)Cc1ccc2[nH]ncc2c1.Cc1cc([C@@H](CC(=O)NC[C@H](Cc2ccc3[nH]ncc3c2)N(C)C)C2(C(C)(F)F)CC2)ccn1.Cc1cncc([C@@H](CC(=O)NC[C@H](Cc2ccc3[nH]ncc3c2)N(C)C)C2(C(C)(F)F)CC2)c1.Cc1cncc([C@H](CC(=O)NC[C@H](Cc2ccc3[nH]ncc3c2)N(C)C)C2(C(C)(F)F)CC2)c1
InChIInChI=1S/3C26H33F2N5O.2C25H30ClF2N5O.2C24H31N5O.C23H31N5O/c1-17-11-19(7-10-29-17)22(26(8-9-26)25(2,27)28)14-24(34)30-16-21(33(3)4)13-18-5-6-23-20(12-18)15-31-32-23;2*1-17-9-19(14-29-13-17)22(26(7-8-26)25(2,27)28)12-24(34)30-16-21(33(3)4)11-18-5-6-23-20(10-18)15-31-32-23;2*1-24(27,28)25(6-7-25)21(17-10-19(26)14-29-12-17)11-23(34)30-15-20(33(2)3)9-16-4-5-22-18(8-16)13-31-32-22;2*1-24(8-9-24)21(18-5-4-10-25-14-18)13-23(30)26-16-20(29(2)3)12-17-6-7-22-19(11-17)15-27-28-22;1-16(2)21(18-6-5-9-24-13-18)12-23(29)25-15-20(28(3)4)11-17-7-8-22-19(10-17)14-26-27-22/h5-7,10-12,15,21-22H,8-9,13-14,16H2,1-4H3,(H,30,34)(H,31,32);2*5-6,9-10,13-15,21-22H,7-8,11-12,16H2,1-4H3,(H,30,34)(H,31,32);2*4-5,8,10,12-14,20-21H,6-7,9,11,15H2,1-3H3,(H,30,34)(H,31,32);2*4-7,10-11,14-15,20-21H,8-9,12-13,16H2,1-3H3,(H,26,30)(H,27,28);5-10,13-14,16,20-21H,11-12,15H2,1-4H3,(H,25,29)(H,26,27)/t2*21-,22+;21-,22-;20-,21+;20-,21-;20-,21+;20-,21-;20-,21+/m00000000/s1
InChIKeyGBAHVKJSGDDTSK-GHEHMOFWSA-N
MW3593.36 g/mol
LogP33.43
Rot. Bonds77

About (3R)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3S)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-4-methyl-3-pyridin-3-ylpentanamide

(3R)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3S)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-4-methyl-3-pyridin-3-ylpentanamide (PubChem CID 167572198) has the molecular formula C199H252Cl2F10N40O8 and a molecular weight of 3593.36 g/mol. Its IUPAC name is (3R)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3S)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-4-methyl-3-pyridin-3-ylpentanamide.

Molecular Properties

Compound Name(3R)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3S)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-4-methyl-3-pyridin-3-ylpentanamide
PubChem CID167572198
Molecular FormulaC199H252Cl2F10N40O8
Molecular Weight3593.36 g/mol
Exact Mass3589.98
IUPAC Name(3R)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3S)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-4-methyl-3-pyridin-3-ylpentanamide
SMILESCC(C)[C@@H](CC(=O)NC[C@H](Cc1ccc2[nH]ncc2c1)N(C)C)c1cccnc1.CN(C)[C@H](CNC(=O)C[C@@H](c1cccnc1)C1(C)CC1)Cc1ccc2[nH]ncc2c1.CN(C)[C@H](CNC(=O)C[C@@H](c1cncc(Cl)c1)C1(C(C)(F)F)CC1)Cc1ccc2[nH]ncc2c1.CN(C)[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C)CC1)Cc1ccc2[nH]ncc2c1.CN(C)[C@H](CNC(=O)C[C@H](c1cncc(Cl)c1)C1(C(C)(F)F)CC1)Cc1ccc2[nH]ncc2c1.Cc1cc([C@@H](CC(=O)NC[C@H](Cc2ccc3[nH]ncc3c2)N(C)C)C2(C(C)(F)F)CC2)ccn1.Cc1cncc([C@@H](CC(=O)NC[C@H](Cc2ccc3[nH]ncc3c2)N(C)C)C2(C(C)(F)F)CC2)c1.Cc1cncc([C@H](CC(=O)NC[C@H](Cc2ccc3[nH]ncc3c2)N(C)C)C2(C(C)(F)F)CC2)c1
InChIInChI=1S/3C26H33F2N5O.2C25H30ClF2N5O.2C24H31N5O.C23H31N5O/c1-17-11-19(7-10-29-17)22(26(8-9-26)25(2,27)28)14-24(34)30-16-21(33(3)4)13-18-5-6-23-20(12-18)15-31-32-23;2*1-17-9-19(14-29-13-17)22(26(7-8-26)25(2,27)28)12-24(34)30-16-21(33(3)4)11-18-5-6-23-20(10-18)15-31-32-23;2*1-24(27,28)25(6-7-25)21(17-10-19(26)14-29-12-17)11-23(34)30-15-20(33(2)3)9-16-4-5-22-18(8-16)13-31-32-22;2*1-24(8-9-24)21(18-5-4-10-25-14-18)13-23(30)26-16-20(29(2)3)12-17-6-7-22-19(11-17)15-27-28-22;1-16(2)21(18-6-5-9-24-13-18)12-23(29)25-15-20(28(3)4)11-17-7-8-22-19(10-17)14-26-27-22/h5-7,10-12,15,21-22H,8-9,13-14,16H2,1-4H3,(H,30,34)(H,31,32);2*5-6,9-10,13-15,21-22H,7-8,11-12,16H2,1-4H3,(H,30,34)(H,31,32);2*4-5,8,10,12-14,20-21H,6-7,9,11,15H2,1-3H3,(H,30,34)(H,31,32);2*4-7,10-11,14-15,20-21H,8-9,12-13,16H2,1-3H3,(H,26,30)(H,27,28);5-10,13-14,16,20-21H,11-12,15H2,1-4H3,(H,25,29)(H,26,27)/t2*21-,22+;21-,22-;20-,21+;20-,21-;20-,21+;20-,21-;20-,21+/m00000000/s1
InChIKeyGBAHVKJSGDDTSK-GHEHMOFWSA-N
XLogP33.43
TPSA591.28 Ų
H-Bond Donors16
H-Bond Acceptors32
Rotatable Bonds77
Heavy Atoms259
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003593.36
LogP ≤ 533.43
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1032

Analyze (3R)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3S)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-4-methyl-3-pyridin-3-ylpentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3S)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-4-methyl-3-pyridin-3-ylpentanamide?
The IUPAC name of (3R)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3S)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-4-methyl-3-pyridin-3-ylpentanamide (CID 167572198) is (3R)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3S)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-4-methyl-3-pyridin-3-ylpentanamide.
What is the SMILES notation for (3R)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3S)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-4-methyl-3-pyridin-3-ylpentanamide?
The canonical SMILES for (3R)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3S)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-4-methyl-3-pyridin-3-ylpentanamide is CC(C)[C@@H](CC(=O)NC[C@H](Cc1ccc2[nH]ncc2c1)N(C)C)c1cccnc1.CN(C)[C@H](CNC(=O)C[C@@H](c1cccnc1)C1(C)CC1)Cc1ccc2[nH]ncc2c1.CN(C)[C@H](CNC(=O)C[C@@H](c1cncc(Cl)c1)C1(C(C)(F)F)CC1)Cc1ccc2[nH]ncc2c1.CN(C)[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C)CC1)Cc1ccc2[nH]ncc2c1.CN(C)[C@H](CNC(=O)C[C@H](c1cncc(Cl)c1)C1(C(C)(F)F)CC1)Cc1ccc2[nH]ncc2c1.Cc1cc([C@@H](CC(=O)NC[C@H](Cc2ccc3[nH]ncc3c2)N(C)C)C2(C(C)(F)F)CC2)ccn1.Cc1cncc([C@@H](CC(=O)NC[C@H](Cc2ccc3[nH]ncc3c2)N(C)C)C2(C(C)(F)F)CC2)c1.Cc1cncc([C@H](CC(=O)NC[C@H](Cc2ccc3[nH]ncc3c2)N(C)C)C2(C(C)(F)F)CC2)c1.
What is the InChIKey of (3R)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3S)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-4-methyl-3-pyridin-3-ylpentanamide?
The InChIKey is GBAHVKJSGDDTSK-GHEHMOFWSA-N. The full InChI is InChI=1S/3C26H33F2N5O.2C25H30ClF2N5O.2C24H31N5O.C23H31N5O/c1-17-11-19(7-10-29-17)22(26(8-9-26)25(2,27)28)14-24(34)30-16-21(33(3)4)13-18-5-6-23-20(12-18)15-31-32-23;2*1-17-9-19(14-29-13-17)22(26(7-8-26)25(2,27)28)12-24(34)30-16-21(33(3)4)11-18-5-6-23-20(10-18)15-31-32-23;2*1-24(27,28)25(6-7-25)21(17-10-19(26)14-29-12-17)11-23(34)30-15-20(33(2)3)9-16-4-5-22-18(8-16)13-31-32-22;2*1-24(8-9-24)21(18-5-4-10-25-14-18)13-23(30)26-16-20(29(2)3)12-17-6-7-22-19(11-17)15-27-28-22;1-16(2)21(18-6-5-9-24-13-18)12-23(29)25-15-20(28(3)4)11-17-7-8-22-19(10-17)14-26-27-22/h5-7,10-12,15,21-22H,8-9,13-14,16H2,1-4H3,(H,30,34)(H,31,32);2*5-6,9-10,13-15,21-22H,7-8,11-12,16H2,1-4H3,(H,30,34)(H,31,32);2*4-5,8,10,12-14,20-21H,6-7,9,11,15H2,1-3H3,(H,30,34)(H,31,32);2*4-7,10-11,14-15,20-21H,8-9,12-13,16H2,1-3H3,(H,26,30)(H,27,28);5-10,13-14,16,20-21H,11-12,15H2,1-4H3,(H,25,29)(H,26,27)/t2*21-,22+;21-,22-;20-,21+;20-,21-;20-,21+;20-,21-;20-,21+/m00000000/s1.
What are the key properties of (3R)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3S)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-4-methyl-3-pyridin-3-ylpentanamide?
(3R)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3S)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-4-methyl-3-pyridin-3-ylpentanamide has a molecular weight of 3593.36 g/mol, XLogP of 33.43, 77 rotatable bonds, 16 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3S)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-4-methyl-3-pyridin-3-ylpentanamide is sourced from PubChem (CID 167572198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).