N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide;N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide

C66H74N10O6 — CID 134247249

IUPACN-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide;N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C2CCCCC2)cn1.O=C(N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C2CCCCC2)cn1)c1cc2ccccc2[nH]1
InChIInChI=1S/C35H37N5O3.C31H37N5O3/c41-33(31-18-25-13-7-8-14-29(25)37-31)38-32(17-23-9-3-1-4-10-23)35(43)40-22-27-19-28(40)21-39(27)34(42)30-16-15-26(20-36-30)24-11-5-2-6-12-24;1-19(2)28(34-29(37)27-14-21-10-6-7-11-25(21)33-27)31(39)36-18-23-15-24(36)17-35(23)30(38)26-13-12-22(16-32-26)20-8-4-3-5-9-20/h1,3-4,7-10,13-16,18,20,24,27-28,32,37H,2,5-6,11-12,17,19,21-22H2,(H,38,41);6-7,10-14,16,19-20,23-24,28,33H,3-5,8-9,15,17-18H2,1-2H3,(H,34,37)/t27-,28-,32-;23-,24-,28-/m00/s1
InChIKeyCDIWGIXMQZIKIO-JLTJATKHSA-N
MW1103.38 g/mol
LogP9.57
Rot. Bonds13

About N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide;N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide

N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide;N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 134247249) has the molecular formula C66H74N10O6 and a molecular weight of 1103.38 g/mol. Its IUPAC name is N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide;N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide;N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
PubChem CID134247249
Molecular FormulaC66H74N10O6
Molecular Weight1103.38 g/mol
Exact Mass1102.58
IUPAC NameN-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide;N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C2CCCCC2)cn1.O=C(N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C2CCCCC2)cn1)c1cc2ccccc2[nH]1
InChIInChI=1S/C35H37N5O3.C31H37N5O3/c41-33(31-18-25-13-7-8-14-29(25)37-31)38-32(17-23-9-3-1-4-10-23)35(43)40-22-27-19-28(40)21-39(27)34(42)30-16-15-26(20-36-30)24-11-5-2-6-12-24;1-19(2)28(34-29(37)27-14-21-10-6-7-11-25(21)33-27)31(39)36-18-23-15-24(36)17-35(23)30(38)26-13-12-22(16-32-26)20-8-4-3-5-9-20/h1,3-4,7-10,13-16,18,20,24,27-28,32,37H,2,5-6,11-12,17,19,21-22H2,(H,38,41);6-7,10-14,16,19-20,23-24,28,33H,3-5,8-9,15,17-18H2,1-2H3,(H,34,37)/t27-,28-,32-;23-,24-,28-/m00/s1
InChIKeyCDIWGIXMQZIKIO-JLTJATKHSA-N
XLogP9.57
TPSA196.80 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001103.38
LogP ≤ 59.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide;N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide;N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide;N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide (CID 134247249) is N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide;N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide;N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide;N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide is CC(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C2CCCCC2)cn1.O=C(N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C2CCCCC2)cn1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide;N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is CDIWGIXMQZIKIO-JLTJATKHSA-N. The full InChI is InChI=1S/C35H37N5O3.C31H37N5O3/c41-33(31-18-25-13-7-8-14-29(25)37-31)38-32(17-23-9-3-1-4-10-23)35(43)40-22-27-19-28(40)21-39(27)34(42)30-16-15-26(20-36-30)24-11-5-2-6-12-24;1-19(2)28(34-29(37)27-14-21-10-6-7-11-25(21)33-27)31(39)36-18-23-15-24(36)17-35(23)30(38)26-13-12-22(16-32-26)20-8-4-3-5-9-20/h1,3-4,7-10,13-16,18,20,24,27-28,32,37H,2,5-6,11-12,17,19,21-22H2,(H,38,41);6-7,10-14,16,19-20,23-24,28,33H,3-5,8-9,15,17-18H2,1-2H3,(H,34,37)/t27-,28-,32-;23-,24-,28-/m00/s1.
What are the key properties of N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide;N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide?
N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide;N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 1103.38 g/mol, XLogP of 9.57, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide;N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 134247249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).