2-[7-chloro-3-[4-chloro-7-[5-(phenylcarbamoyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindole-1-carbonyl]-2,3-dihydro-1H-isoindol-4-yl]-N-phenyl-1H-indole-5-carboxamide

C47H34Cl2N6O3 — CID 175374240

IUPAC2-[7-chloro-3-[4-chloro-7-[5-(phenylcarbamoyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindole-1-carbonyl]-2,3-dihydro-1H-isoindol-4-yl]-N-phenyl-1H-indole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2[nH]c(-c3ccc(Cl)c4c3C(C(=O)C3NCc5c(Cl)ccc(-c6cc7cc(C(=O)Nc8ccccc8)ccc7[nH]6)c53)NC4)cc2c1
InChIInChI=1S/C47H34Cl2N6O3/c48-35-15-13-31(39-21-27-19-25(11-17-37(27)54-39)46(57)52-29-7-3-1-4-8-29)41-33(35)23-50-43(41)45(56)44-42-32(14-16-36(49)34(42)24-51-44)40-22-28-20-26(12-18-38(28)55-40)47(58)53-30-9-5-2-6-10-30/h1-22,43-44,50-51,54-55H,23-24H2,(H,52,57)(H,53,58)
InChIKeyVVAIURYBAIMYCJ-UHFFFAOYSA-N
MW801.73 g/mol
LogP10.35
Rot. Bonds8

About 2-[7-chloro-3-[4-chloro-7-[5-(phenylcarbamoyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindole-1-carbonyl]-2,3-dihydro-1H-isoindol-4-yl]-N-phenyl-1H-indole-5-carboxamide

2-[7-chloro-3-[4-chloro-7-[5-(phenylcarbamoyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindole-1-carbonyl]-2,3-dihydro-1H-isoindol-4-yl]-N-phenyl-1H-indole-5-carboxamide (PubChem CID 175374240) has the molecular formula C47H34Cl2N6O3 and a molecular weight of 801.73 g/mol. Its IUPAC name is 2-[7-chloro-3-[4-chloro-7-[5-(phenylcarbamoyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindole-1-carbonyl]-2,3-dihydro-1H-isoindol-4-yl]-N-phenyl-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-[7-chloro-3-[4-chloro-7-[5-(phenylcarbamoyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindole-1-carbonyl]-2,3-dihydro-1H-isoindol-4-yl]-N-phenyl-1H-indole-5-carboxamide
PubChem CID175374240
Molecular FormulaC47H34Cl2N6O3
Molecular Weight801.73 g/mol
Exact Mass800.21
IUPAC Name2-[7-chloro-3-[4-chloro-7-[5-(phenylcarbamoyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindole-1-carbonyl]-2,3-dihydro-1H-isoindol-4-yl]-N-phenyl-1H-indole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2[nH]c(-c3ccc(Cl)c4c3C(C(=O)C3NCc5c(Cl)ccc(-c6cc7cc(C(=O)Nc8ccccc8)ccc7[nH]6)c53)NC4)cc2c1
InChIInChI=1S/C47H34Cl2N6O3/c48-35-15-13-31(39-21-27-19-25(11-17-37(27)54-39)46(57)52-29-7-3-1-4-8-29)41-33(35)23-50-43(41)45(56)44-42-32(14-16-36(49)34(42)24-51-44)40-22-28-20-26(12-18-38(28)55-40)47(58)53-30-9-5-2-6-10-30/h1-22,43-44,50-51,54-55H,23-24H2,(H,52,57)(H,53,58)
InChIKeyVVAIURYBAIMYCJ-UHFFFAOYSA-N
XLogP10.35
TPSA130.91 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500801.73
LogP ≤ 510.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Analyze 2-[7-chloro-3-[4-chloro-7-[5-(phenylcarbamoyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindole-1-carbonyl]-2,3-dihydro-1H-isoindol-4-yl]-N-phenyl-1H-indole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(7-chloro-3-hydroxy-2,3-dihydro-1H-isoindol-4-yl)-N-piperidin-4-yl-1H-indole-5-carboxamide
CID 174551796
2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-1H-indole-5-carboxamide
CID 10389580
2-N-phenylnaphthalene-2,6-dicarboxamide
CID 57399617
bis[4-(furan-2-yl)-7-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-yl]methanone
CID 175253485
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877
N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-fluorobenzamide
CID 46334597
N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide
CID 141188034
1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 22001655
2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-N-pyridin-3-yl-1H-indole-5-carboxamide
CID 10366612
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
4-chloro-3-(dimethylsulfamoylamino)-N-phenylbenzamide
CID 13322352
N-[2-[4-(pyridine-4-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
CID 10002974

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-3-[4-chloro-7-[5-(phenylcarbamoyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindole-1-carbonyl]-2,3-dihydro-1H-isoindol-4-yl]-N-phenyl-1H-indole-5-carboxamide?
The IUPAC name of 2-[7-chloro-3-[4-chloro-7-[5-(phenylcarbamoyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindole-1-carbonyl]-2,3-dihydro-1H-isoindol-4-yl]-N-phenyl-1H-indole-5-carboxamide (CID 175374240) is 2-[7-chloro-3-[4-chloro-7-[5-(phenylcarbamoyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindole-1-carbonyl]-2,3-dihydro-1H-isoindol-4-yl]-N-phenyl-1H-indole-5-carboxamide.
What is the SMILES notation for 2-[7-chloro-3-[4-chloro-7-[5-(phenylcarbamoyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindole-1-carbonyl]-2,3-dihydro-1H-isoindol-4-yl]-N-phenyl-1H-indole-5-carboxamide?
The canonical SMILES for 2-[7-chloro-3-[4-chloro-7-[5-(phenylcarbamoyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindole-1-carbonyl]-2,3-dihydro-1H-isoindol-4-yl]-N-phenyl-1H-indole-5-carboxamide is O=C(Nc1ccccc1)c1ccc2[nH]c(-c3ccc(Cl)c4c3C(C(=O)C3NCc5c(Cl)ccc(-c6cc7cc(C(=O)Nc8ccccc8)ccc7[nH]6)c53)NC4)cc2c1.
What is the InChIKey of 2-[7-chloro-3-[4-chloro-7-[5-(phenylcarbamoyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindole-1-carbonyl]-2,3-dihydro-1H-isoindol-4-yl]-N-phenyl-1H-indole-5-carboxamide?
The InChIKey is VVAIURYBAIMYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34Cl2N6O3/c48-35-15-13-31(39-21-27-19-25(11-17-37(27)54-39)46(57)52-29-7-3-1-4-8-29)41-33(35)23-50-43(41)45(56)44-42-32(14-16-36(49)34(42)24-51-44)40-22-28-20-26(12-18-38(28)55-40)47(58)53-30-9-5-2-6-10-30/h1-22,43-44,50-51,54-55H,23-24H2,(H,52,57)(H,53,58).
What are the key properties of 2-[7-chloro-3-[4-chloro-7-[5-(phenylcarbamoyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindole-1-carbonyl]-2,3-dihydro-1H-isoindol-4-yl]-N-phenyl-1H-indole-5-carboxamide?
2-[7-chloro-3-[4-chloro-7-[5-(phenylcarbamoyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindole-1-carbonyl]-2,3-dihydro-1H-isoindol-4-yl]-N-phenyl-1H-indole-5-carboxamide has a molecular weight of 801.73 g/mol, XLogP of 10.35, 8 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-3-[4-chloro-7-[5-(phenylcarbamoyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindole-1-carbonyl]-2,3-dihydro-1H-isoindol-4-yl]-N-phenyl-1H-indole-5-carboxamide is sourced from PubChem (CID 175374240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).