6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide

C40H37Cl3N8O2 — CID 71155845

IUPAC6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide
SMILESCC(c1ccc(Cl)cc1Cl)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cccnc2N2CCC(N3CCNCC3=O)CC2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C40H37Cl3N8O2/c1-24(29-11-9-26(41)20-31(29)43)51-23-46-36(25-6-3-2-4-7-25)38(51)35-30-12-10-27(42)21-33(30)47-37(35)40(53)48-32-8-5-15-45-39(32)49-17-13-28(14-18-49)50-19-16-44-22-34(50)52/h2-12,15,20-21,23-24,28,44,47H,13-14,16-19,22H2,1H3,(H,48,53)
InChIKeyMEVLZXRVBJBPGK-UHFFFAOYSA-N
MW768.15 g/mol
LogP8.32
Rot. Bonds8

About 6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide

6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide (PubChem CID 71155845) has the molecular formula C40H37Cl3N8O2 and a molecular weight of 768.15 g/mol. Its IUPAC name is 6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide
PubChem CID71155845
Molecular FormulaC40H37Cl3N8O2
Molecular Weight768.15 g/mol
Exact Mass766.21
IUPAC Name6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide
SMILESCC(c1ccc(Cl)cc1Cl)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cccnc2N2CCC(N3CCNCC3=O)CC2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C40H37Cl3N8O2/c1-24(29-11-9-26(41)20-31(29)43)51-23-46-36(25-6-3-2-4-7-25)38(51)35-30-12-10-27(42)21-33(30)47-37(35)40(53)48-32-8-5-15-45-39(32)49-17-13-28(14-18-49)50-19-16-44-22-34(50)52/h2-12,15,20-21,23-24,28,44,47H,13-14,16-19,22H2,1H3,(H,48,53)
InChIKeyMEVLZXRVBJBPGK-UHFFFAOYSA-N
XLogP8.32
TPSA111.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.15
LogP ≤ 58.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide (CID 71155845) is 6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide is CC(c1ccc(Cl)cc1Cl)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cccnc2N2CCC(N3CCNCC3=O)CC2)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide?
The InChIKey is MEVLZXRVBJBPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H37Cl3N8O2/c1-24(29-11-9-26(41)20-31(29)43)51-23-46-36(25-6-3-2-4-7-25)38(51)35-30-12-10-27(42)21-33(30)47-37(35)40(53)48-32-8-5-15-45-39(32)49-17-13-28(14-18-49)50-19-16-44-22-34(50)52/h2-12,15,20-21,23-24,28,44,47H,13-14,16-19,22H2,1H3,(H,48,53).
What are the key properties of 6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide?
6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide has a molecular weight of 768.15 g/mol, XLogP of 8.32, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 71155845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).