(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(ethylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-[4-(methylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]butanamide

C151H194N22O17 — CID 159101988

IUPAC(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(ethylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-[4-(methylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]butanamide
SMILESCCNCc1ccc(-c2cccn3cc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](C)CC)C4CCOCC4)nc23)cc1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2c(-c3ccccc3)cccc2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(CNC)cc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(CO)cc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(O)cc3)c2n1)C1CCOCC1
InChIInChI=1S/C32H43N5O3.C31H41N5O3.C30H38N4O4.C29H36N4O4.C29H36N4O3/c1-4-22(3)31(38)35-29(25-14-18-40-19-15-25)32(39)37-17-7-9-28(37)27-21-36-16-6-8-26(30(36)34-27)24-12-10-23(11-13-24)20-33-5-2;1-4-21(2)30(37)34-28(24-13-17-39-18-14-24)31(38)36-16-6-8-27(36)26-20-35-15-5-7-25(29(35)33-26)23-11-9-22(10-12-23)19-32-3;1-3-20(2)29(36)32-27(23-12-16-38-17-13-23)30(37)34-15-5-7-26(34)25-18-33-14-4-6-24(28(33)31-25)22-10-8-21(19-35)9-11-22;1-3-19(2)28(35)31-26(21-12-16-37-17-13-21)29(36)33-15-5-7-25(33)24-18-32-14-4-6-23(27(32)30-24)20-8-10-22(34)11-9-20;1-3-20(2)28(34)31-27(22-14-17-36-18-15-22)29(35)32-16-8-12-25(32)23-19-33-24(11-7-13-26(33)30-23)21-9-5-4-6-10-21/h6,8,10-13,16,21-22,25,28-29,33H,4-5,7,9,14-15,17-20H2,1-3H3,(H,35,38);5,7,9-12,15,20-21,24,27-28,32H,4,6,8,13-14,16-19H2,1-3H3,(H,34,37);4,6,8-11,14,18,20,23,26-27,35H,3,5,7,12-13,15-17,19H2,1-2H3,(H,32,36);4,6,8-11,14,18-19,21,25-26,34H,3,5,7,12-13,15-17H2,1-2H3,(H,31,35);4-7,9-11,13,19-20,22,25,27H,3,8,12,14-18H2,1-2H3,(H,31,34)/t22-,28+,29+;21-,27+,28+;20-,26+,27+;19-,25+,26+;20-,25+,27+/m11111/s1
InChIKeyKDKBWOQEKFFJCY-ARENLWKISA-N
MW2589.35 g/mol
LogP22.14
Rot. Bonds41

About (2R)-N-[(1S)-2-[(2S)-2-[8-[4-(ethylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-[4-(methylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]butanamide

(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(ethylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-[4-(methylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]butanamide (PubChem CID 159101988) has the molecular formula C151H194N22O17 and a molecular weight of 2589.35 g/mol. Its IUPAC name is (2R)-N-[(1S)-2-[(2S)-2-[8-[4-(ethylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-[4-(methylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]butanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(ethylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-[4-(methylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]butanamide
PubChem CID159101988
Molecular FormulaC151H194N22O17
Molecular Weight2589.35 g/mol
Exact Mass2587.50
IUPAC Name(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(ethylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-[4-(methylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]butanamide
SMILESCCNCc1ccc(-c2cccn3cc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](C)CC)C4CCOCC4)nc23)cc1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2c(-c3ccccc3)cccc2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(CNC)cc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(CO)cc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(O)cc3)c2n1)C1CCOCC1
InChIInChI=1S/C32H43N5O3.C31H41N5O3.C30H38N4O4.C29H36N4O4.C29H36N4O3/c1-4-22(3)31(38)35-29(25-14-18-40-19-15-25)32(39)37-17-7-9-28(37)27-21-36-16-6-8-26(30(36)34-27)24-12-10-23(11-13-24)20-33-5-2;1-4-21(2)30(37)34-28(24-13-17-39-18-14-24)31(38)36-16-6-8-27(36)26-20-35-15-5-7-25(29(35)33-26)23-11-9-22(10-12-23)19-32-3;1-3-20(2)29(36)32-27(23-12-16-38-17-13-23)30(37)34-15-5-7-26(34)25-18-33-14-4-6-24(28(33)31-25)22-10-8-21(19-35)9-11-22;1-3-19(2)28(35)31-26(21-12-16-37-17-13-21)29(36)33-15-5-7-25(33)24-18-32-14-4-6-23(27(32)30-24)20-8-10-22(34)11-9-20;1-3-20(2)28(34)31-27(22-14-17-36-18-15-22)29(35)32-16-8-12-25(32)23-19-33-24(11-7-13-26(33)30-23)21-9-5-4-6-10-21/h6,8,10-13,16,21-22,25,28-29,33H,4-5,7,9,14-15,17-20H2,1-3H3,(H,35,38);5,7,9-12,15,20-21,24,27-28,32H,4,6,8,13-14,16-19H2,1-3H3,(H,34,37);4,6,8-11,14,18,20,23,26-27,35H,3,5,7,12-13,15-17,19H2,1-2H3,(H,32,36);4,6,8-11,14,18-19,21,25-26,34H,3,5,7,12-13,15-17H2,1-2H3,(H,31,35);4-7,9-11,13,19-20,22,25,27H,3,8,12,14-18H2,1-2H3,(H,31,34)/t22-,28+,29+;21-,27+,28+;20-,26+,27+;19-,25+,26+;20-,25+,27+/m11111/s1
InChIKeyKDKBWOQEKFFJCY-ARENLWKISA-N
XLogP22.14
TPSA444.22 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds41
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002589.35
LogP ≤ 522.14
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Analyze (2R)-N-[(1S)-2-[(2S)-2-[8-[4-(ethylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-[4-(methylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-2-[(2S)-2-[8-[4-(ethylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-[4-(methylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]butanamide?
The IUPAC name of (2R)-N-[(1S)-2-[(2S)-2-[8-[4-(ethylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-[4-(methylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]butanamide (CID 159101988) is (2R)-N-[(1S)-2-[(2S)-2-[8-[4-(ethylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-[4-(methylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]butanamide.
What is the SMILES notation for (2R)-N-[(1S)-2-[(2S)-2-[8-[4-(ethylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-[4-(methylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]butanamide?
The canonical SMILES for (2R)-N-[(1S)-2-[(2S)-2-[8-[4-(ethylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-[4-(methylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]butanamide is CCNCc1ccc(-c2cccn3cc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](C)CC)C4CCOCC4)nc23)cc1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2c(-c3ccccc3)cccc2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(CNC)cc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(CO)cc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(O)cc3)c2n1)C1CCOCC1.
What is the InChIKey of (2R)-N-[(1S)-2-[(2S)-2-[8-[4-(ethylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-[4-(methylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]butanamide?
The InChIKey is KDKBWOQEKFFJCY-ARENLWKISA-N. The full InChI is InChI=1S/C32H43N5O3.C31H41N5O3.C30H38N4O4.C29H36N4O4.C29H36N4O3/c1-4-22(3)31(38)35-29(25-14-18-40-19-15-25)32(39)37-17-7-9-28(37)27-21-36-16-6-8-26(30(36)34-27)24-12-10-23(11-13-24)20-33-5-2;1-4-21(2)30(37)34-28(24-13-17-39-18-14-24)31(38)36-16-6-8-27(36)26-20-35-15-5-7-25(29(35)33-26)23-11-9-22(10-12-23)19-32-3;1-3-20(2)29(36)32-27(23-12-16-38-17-13-23)30(37)34-15-5-7-26(34)25-18-33-14-4-6-24(28(33)31-25)22-10-8-21(19-35)9-11-22;1-3-19(2)28(35)31-26(21-12-16-37-17-13-21)29(36)33-15-5-7-25(33)24-18-32-14-4-6-23(27(32)30-24)20-8-10-22(34)11-9-20;1-3-20(2)28(34)31-27(22-14-17-36-18-15-22)29(35)32-16-8-12-25(32)23-19-33-24(11-7-13-26(33)30-23)21-9-5-4-6-10-21/h6,8,10-13,16,21-22,25,28-29,33H,4-5,7,9,14-15,17-20H2,1-3H3,(H,35,38);5,7,9-12,15,20-21,24,27-28,32H,4,6,8,13-14,16-19H2,1-3H3,(H,34,37);4,6,8-11,14,18,20,23,26-27,35H,3,5,7,12-13,15-17,19H2,1-2H3,(H,32,36);4,6,8-11,14,18-19,21,25-26,34H,3,5,7,12-13,15-17H2,1-2H3,(H,31,35);4-7,9-11,13,19-20,22,25,27H,3,8,12,14-18H2,1-2H3,(H,31,34)/t22-,28+,29+;21-,27+,28+;20-,26+,27+;19-,25+,26+;20-,25+,27+/m11111/s1.
What are the key properties of (2R)-N-[(1S)-2-[(2S)-2-[8-[4-(ethylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-[4-(methylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]butanamide?
(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(ethylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-[4-(methylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]butanamide has a molecular weight of 2589.35 g/mol, XLogP of 22.14, 41 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-2-[(2S)-2-[8-[4-(ethylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-[4-(methylaminomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]butanamide is sourced from PubChem (CID 159101988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).