N-[2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]phenyl]-6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide

C40H38Cl2N6O2 — CID 71477306

IUPACN-[2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]phenyl]-6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide
SMILESCC(=O)N[C@@H]1CCCN(Cc2ccccc2NC(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(-c3ccccc3)ncn2[C@@H](C)c2ccc(Cl)cc2)C1
InChIInChI=1S/C40H38Cl2N6O2/c1-25(27-14-16-30(41)17-15-27)48-24-43-37(28-9-4-3-5-10-28)39(48)36-33-19-18-31(42)21-35(33)45-38(36)40(50)46-34-13-7-6-11-29(34)22-47-20-8-12-32(23-47)44-26(2)49/h3-7,9-11,13-19,21,24-25,32,45H,8,12,20,22-23H2,1-2H3,(H,44,49)(H,46,50)/t25-,32+/m0/s1
InChIKeyCEAHIGMDFMFKHJ-ZOYWYXQUSA-N
MW705.69 g/mol
LogP8.97
Rot. Bonds9

About N-[2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]phenyl]-6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide

N-[2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]phenyl]-6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide (PubChem CID 71477306) has the molecular formula C40H38Cl2N6O2 and a molecular weight of 705.69 g/mol. Its IUPAC name is N-[2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]phenyl]-6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]phenyl]-6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide
PubChem CID71477306
Molecular FormulaC40H38Cl2N6O2
Molecular Weight705.69 g/mol
Exact Mass704.24
IUPAC NameN-[2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]phenyl]-6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide
SMILESCC(=O)N[C@@H]1CCCN(Cc2ccccc2NC(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(-c3ccccc3)ncn2[C@@H](C)c2ccc(Cl)cc2)C1
InChIInChI=1S/C40H38Cl2N6O2/c1-25(27-14-16-30(41)17-15-27)48-24-43-37(28-9-4-3-5-10-28)39(48)36-33-19-18-31(42)21-35(33)45-38(36)40(50)46-34-13-7-6-11-29(34)22-47-20-8-12-32(23-47)44-26(2)49/h3-7,9-11,13-19,21,24-25,32,45H,8,12,20,22-23H2,1-2H3,(H,44,49)(H,46,50)/t25-,32+/m0/s1
InChIKeyCEAHIGMDFMFKHJ-ZOYWYXQUSA-N
XLogP8.97
TPSA95.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.69
LogP ≤ 58.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]phenyl]-6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[2-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide
CID 71155775
N-[2-[(3R)-1-acetylpyrrolidin-3-yl]oxy-3-pyridinyl]-6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide
CID 71477613
1-[3-[[6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid
CID 71145045
3-[[6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carbonyl]amino]-4-methylbenzoic acid
CID 71155470
6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(4-phenylpiperazin-1-yl)-3-pyridinyl]-1H-indole-2-carboxamide
CID 71155822
6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide
CID 71476552
6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]-1H-indole-2-carboxamide
CID 123987839
6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-(2-piperidin-3-yloxy-3-pyridinyl)-1H-indole-2-carboxamide
CID 71155665
6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(piperidin-4-ylmethoxy)-3-pyridinyl]-1H-indole-2-carboxamide
CID 71155218
6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)-4-pyridinyl]-1H-indole-2-carboxamide
CID 78016214
6-chloro-N-[5-chloro-2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]phenyl]-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide
CID 71155301
N-(2-benzylpyrazol-3-yl)-6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide
CID 71155707

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]phenyl]-6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]phenyl]-6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide (CID 71477306) is N-[2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]phenyl]-6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]phenyl]-6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]phenyl]-6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide is CC(=O)N[C@@H]1CCCN(Cc2ccccc2NC(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(-c3ccccc3)ncn2[C@@H](C)c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]phenyl]-6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide?
The InChIKey is CEAHIGMDFMFKHJ-ZOYWYXQUSA-N. The full InChI is InChI=1S/C40H38Cl2N6O2/c1-25(27-14-16-30(41)17-15-27)48-24-43-37(28-9-4-3-5-10-28)39(48)36-33-19-18-31(42)21-35(33)45-38(36)40(50)46-34-13-7-6-11-29(34)22-47-20-8-12-32(23-47)44-26(2)49/h3-7,9-11,13-19,21,24-25,32,45H,8,12,20,22-23H2,1-2H3,(H,44,49)(H,46,50)/t25-,32+/m0/s1.
What are the key properties of N-[2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]phenyl]-6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide?
N-[2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]phenyl]-6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide has a molecular weight of 705.69 g/mol, XLogP of 8.97, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]phenyl]-6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 71477306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).