6-chloro-3-[3-[(4-chloro-2-fluorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide

C39H34Cl2FN7O3 — CID 71155444

IUPAC6-chloro-3-[3-[(4-chloro-2-fluorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1cccnc1N1CCC(N2CCCOC2=O)CC1)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)ncn1Cc1ccc(Cl)cc1F
InChIInChI=1S/C39H34Cl2FN7O3/c40-26-10-9-25(30(42)20-26)22-48-23-44-34(24-6-2-1-3-7-24)36(48)33-29-12-11-27(41)21-32(29)45-35(33)38(50)46-31-8-4-15-43-37(31)47-17-13-28(14-18-47)49-16-5-19-52-39(49)51/h1-4,6-12,15,20-21,23,28,45H,5,13-14,16-19,22H2,(H,46,50)
InChIKeyWDEQJQHWUAWAAE-UHFFFAOYSA-N
MW738.65 g/mol
LogP8.65
Rot. Bonds8

About 6-chloro-3-[3-[(4-chloro-2-fluorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide

6-chloro-3-[3-[(4-chloro-2-fluorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide (PubChem CID 71155444) has the molecular formula C39H34Cl2FN7O3 and a molecular weight of 738.65 g/mol. Its IUPAC name is 6-chloro-3-[3-[(4-chloro-2-fluorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[3-[(4-chloro-2-fluorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide
PubChem CID71155444
Molecular FormulaC39H34Cl2FN7O3
Molecular Weight738.65 g/mol
Exact Mass737.21
IUPAC Name6-chloro-3-[3-[(4-chloro-2-fluorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1cccnc1N1CCC(N2CCCOC2=O)CC1)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)ncn1Cc1ccc(Cl)cc1F
InChIInChI=1S/C39H34Cl2FN7O3/c40-26-10-9-25(30(42)20-26)22-48-23-44-34(24-6-2-1-3-7-24)36(48)33-29-12-11-27(41)21-32(29)45-35(33)38(50)46-31-8-4-15-43-37(31)47-17-13-28(14-18-47)49-16-5-19-52-39(49)51/h1-4,6-12,15,20-21,23,28,45H,5,13-14,16-19,22H2,(H,46,50)
InChIKeyWDEQJQHWUAWAAE-UHFFFAOYSA-N
XLogP8.65
TPSA108.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.65
LogP ≤ 58.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-chloro-3-[3-[(4-chloro-2-fluorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]-3-pyridinyl]-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 6-chloro-3-[3-[(4-chloro-2-fluorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-3-[3-[(4-chloro-2-fluorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide (CID 71155444) is 6-chloro-3-[3-[(4-chloro-2-fluorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-3-[3-[(4-chloro-2-fluorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-3-[3-[(4-chloro-2-fluorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide is O=C(Nc1cccnc1N1CCC(N2CCCOC2=O)CC1)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)ncn1Cc1ccc(Cl)cc1F.
What is the InChIKey of 6-chloro-3-[3-[(4-chloro-2-fluorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide?
The InChIKey is WDEQJQHWUAWAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34Cl2FN7O3/c40-26-10-9-25(30(42)20-26)22-48-23-44-34(24-6-2-1-3-7-24)36(48)33-29-12-11-27(41)21-32(29)45-35(33)38(50)46-31-8-4-15-43-37(31)47-17-13-28(14-18-47)49-16-5-19-52-39(49)51/h1-4,6-12,15,20-21,23,28,45H,5,13-14,16-19,22H2,(H,46,50).
What are the key properties of 6-chloro-3-[3-[(4-chloro-2-fluorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide?
6-chloro-3-[3-[(4-chloro-2-fluorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide has a molecular weight of 738.65 g/mol, XLogP of 8.65, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-[(4-chloro-2-fluorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 71155444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).