(2R)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylethanone;(2R)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;bis((2S)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone);(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone

C206H205N31O7 — CID 158166127

IUPAC(2R)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylethanone;(2R)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;bis((2S)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone);(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone
SMILESCc1ccc(CC(C)N[C@@H](C(=O)c2c[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(CC(C)N[C@H](C(=O)c2c[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(CC(C)N[C@H](C(=O)c2c[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)c2nc(C)n3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3nc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2nc(C)n3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(C[C@H](C)N[C@@H](C(=O)c2c[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1
InChIInChI=1S/4C30H30N4O.2C29H29N5O.C28H27N5O/c4*1-20-9-11-22(12-10-20)15-21(2)33-29(23-7-5-4-6-8-23)30(35)27-18-31-28-16-24(13-14-26(27)28)25-17-32-34(3)19-25;2*1-20-9-11-22(12-10-20)15-16-30-27(23-7-5-4-6-8-23)29(35)28-26-14-13-24(19-34(26)21(2)32-28)25-17-31-33(3)18-25;1-19-8-10-20(11-9-19)14-15-29-26(21-6-4-3-5-7-21)27(34)24-17-30-28-23(24)12-13-25(32-28)22-16-31-33(2)18-22/h4*4-14,16-19,21,29,31,33H,15H2,1-3H3;2*4-14,17-19,27,30H,15-16H2,1-3H3;3-13,16-18,26,29H,14-15H2,1-2H3,(H,30,32)/t3*21?,29-;21-,29+;2*27-;26-/m1000100/s1
InChIKeyFWWBGMGFNQVKCY-BYZWQYSHSA-N
MW3227.12 g/mol
LogP39.33
Rot. Bonds56

About (2R)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylethanone;(2R)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;bis((2S)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone);(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone

(2R)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylethanone;(2R)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;bis((2S)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone);(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone (PubChem CID 158166127) has the molecular formula C206H205N31O7 and a molecular weight of 3227.12 g/mol. Its IUPAC name is (2R)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylethanone;(2R)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;bis((2S)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone);(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2R)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylethanone;(2R)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;bis((2S)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone);(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone
PubChem CID158166127
Molecular FormulaC206H205N31O7
Molecular Weight3227.12 g/mol
Exact Mass3224.66
IUPAC Name(2R)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylethanone;(2R)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;bis((2S)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone);(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone
SMILESCc1ccc(CC(C)N[C@@H](C(=O)c2c[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(CC(C)N[C@H](C(=O)c2c[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(CC(C)N[C@H](C(=O)c2c[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)c2nc(C)n3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3nc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2nc(C)n3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(C[C@H](C)N[C@@H](C(=O)c2c[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1
InChIInChI=1S/4C30H30N4O.2C29H29N5O.C28H27N5O/c4*1-20-9-11-22(12-10-20)15-21(2)33-29(23-7-5-4-6-8-23)30(35)27-18-31-28-16-24(13-14-26(27)28)25-17-32-34(3)19-25;2*1-20-9-11-22(12-10-20)15-16-30-27(23-7-5-4-6-8-23)29(35)28-26-14-13-24(19-34(26)21(2)32-28)25-17-31-33(3)18-25;1-19-8-10-20(11-9-19)14-15-29-26(21-6-4-3-5-7-21)27(34)24-17-30-28-23(24)12-13-25(32-28)22-16-31-33(2)18-22/h4*4-14,16-19,21,29,31,33H,15H2,1-3H3;2*4-14,17-19,27,30H,15-16H2,1-3H3;3-13,16-18,26,29H,14-15H2,1-2H3,(H,30,32)/t3*21?,29-;21-,29+;2*27-;26-/m1000100/s1
InChIKeyFWWBGMGFNQVKCY-BYZWQYSHSA-N
XLogP39.33
TPSA454.88 Ų
H-Bond Donors12
H-Bond Acceptors33
Rotatable Bonds56
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003227.12
LogP ≤ 539.33
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1033

Analyze (2R)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylethanone;(2R)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;bis((2S)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone);(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone with MolForge

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Launch Full Analysis

Related Compounds

(2R)-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylethanone
CID 158666858
methyl 4-[2-[[2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzoate
CID 139416223
(2R)-1-[6-(1-ethylpyrazol-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone
CID 159919528
(2S)-2-[2-(6-amino-3-pyridinyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone
CID 139422762
(2S)-1-[7-fluoro-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone
CID 159379881
(2S)-2-[[(2S)-2-(4-chlorophenyl)propyl]amino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone
CID 139423133
(2S)-2-[2-(4-chlorophenyl)propylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone
CID 139422885
2-[2-(4-chlorophenyl)ethylamino]-1-[6-(1-methylimidazol-4-yl)-1H-indol-3-yl]-2-phenylethanone
CID 139423125
N-[(2R)-2-hydroxypropyl]-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide
CID 160969332
1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]pyrrolidin-2-one
CID 159421118
(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenyl-1-(6-pyridin-4-yl-1H-indol-3-yl)ethanone
CID 139423104
3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-N-(2-pyrrolidin-1-ylethyl)-1H-indole-6-carboxamide
CID 158666863

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylethanone;(2R)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;bis((2S)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone);(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone?
The IUPAC name of (2R)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylethanone;(2R)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;bis((2S)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone);(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone (CID 158166127) is (2R)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylethanone;(2R)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;bis((2S)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone);(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone.
What is the SMILES notation for (2R)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylethanone;(2R)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;bis((2S)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone);(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone?
The canonical SMILES for (2R)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylethanone;(2R)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;bis((2S)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone);(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone is Cc1ccc(CC(C)N[C@@H](C(=O)c2c[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(CC(C)N[C@H](C(=O)c2c[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(CC(C)N[C@H](C(=O)c2c[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)c2nc(C)n3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3nc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2nc(C)n3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(C[C@H](C)N[C@@H](C(=O)c2c[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.
What is the InChIKey of (2R)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylethanone;(2R)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;bis((2S)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone);(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone?
The InChIKey is FWWBGMGFNQVKCY-BYZWQYSHSA-N. The full InChI is InChI=1S/4C30H30N4O.2C29H29N5O.C28H27N5O/c4*1-20-9-11-22(12-10-20)15-21(2)33-29(23-7-5-4-6-8-23)30(35)27-18-31-28-16-24(13-14-26(27)28)25-17-32-34(3)19-25;2*1-20-9-11-22(12-10-20)15-16-30-27(23-7-5-4-6-8-23)29(35)28-26-14-13-24(19-34(26)21(2)32-28)25-17-31-33(3)18-25;1-19-8-10-20(11-9-19)14-15-29-26(21-6-4-3-5-7-21)27(34)24-17-30-28-23(24)12-13-25(32-28)22-16-31-33(2)18-22/h4*4-14,16-19,21,29,31,33H,15H2,1-3H3;2*4-14,17-19,27,30H,15-16H2,1-3H3;3-13,16-18,26,29H,14-15H2,1-2H3,(H,30,32)/t3*21?,29-;21-,29+;2*27-;26-/m1000100/s1.
What are the key properties of (2R)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylethanone;(2R)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;bis((2S)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone);(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone?
(2R)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylethanone;(2R)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;bis((2S)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone);(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone has a molecular weight of 3227.12 g/mol, XLogP of 39.33, 56 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[3-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylethanone;(2R)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;bis((2S)-2-[1-(4-methylphenyl)propan-2-ylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone);(2R)-2-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone is sourced from PubChem (CID 158166127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).