benzyl 4-[[6-[[2-(2-methylphenyl)-3H-indole-7-carbonyl]amino]-3-pyridinyl]methyl]piperazine-1-carboxylate;2-(2-methylphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-3H-indole-7-carboxamide

C60H60N10O4 — CID 123875907

IUPACbenzyl 4-[[6-[[2-(2-methylphenyl)-3H-indole-7-carbonyl]amino]-3-pyridinyl]methyl]piperazine-1-carboxylate;2-(2-methylphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-3H-indole-7-carboxamide
SMILESCc1ccccc1C1=Nc2c(cccc2C(=O)Nc2ccc(CN3CCN(C(=O)OCc4ccccc4)CC3)cn2)C1.Cc1ccccc1C1=Nc2c(cccc2C(=O)Nc2ccc(CN3CCNCC3)cn2)C1
InChIInChI=1S/C34H33N5O3.C26H27N5O/c1-24-8-5-6-12-28(24)30-20-27-11-7-13-29(32(27)36-30)33(40)37-31-15-14-26(21-35-31)22-38-16-18-39(19-17-38)34(41)42-23-25-9-3-2-4-10-25;1-18-5-2-3-7-21(18)23-15-20-6-4-8-22(25(20)29-23)26(32)30-24-10-9-19(16-28-24)17-31-13-11-27-12-14-31/h2-15,21H,16-20,22-23H2,1H3,(H,35,37,40);2-10,16,27H,11-15,17H2,1H3,(H,28,30,32)
InChIKeySVZJIRKVNMKTIS-UHFFFAOYSA-N
MW985.21 g/mol
LogP9.50
Rot. Bonds12

About benzyl 4-[[6-[[2-(2-methylphenyl)-3H-indole-7-carbonyl]amino]-3-pyridinyl]methyl]piperazine-1-carboxylate;2-(2-methylphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-3H-indole-7-carboxamide

benzyl 4-[[6-[[2-(2-methylphenyl)-3H-indole-7-carbonyl]amino]-3-pyridinyl]methyl]piperazine-1-carboxylate;2-(2-methylphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-3H-indole-7-carboxamide (PubChem CID 123875907) has the molecular formula C60H60N10O4 and a molecular weight of 985.21 g/mol. Its IUPAC name is benzyl 4-[[6-[[2-(2-methylphenyl)-3H-indole-7-carbonyl]amino]-3-pyridinyl]methyl]piperazine-1-carboxylate;2-(2-methylphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-3H-indole-7-carboxamide.

Molecular Properties

Compound Namebenzyl 4-[[6-[[2-(2-methylphenyl)-3H-indole-7-carbonyl]amino]-3-pyridinyl]methyl]piperazine-1-carboxylate;2-(2-methylphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-3H-indole-7-carboxamide
PubChem CID123875907
Molecular FormulaC60H60N10O4
Molecular Weight985.21 g/mol
Exact Mass984.48
IUPAC Namebenzyl 4-[[6-[[2-(2-methylphenyl)-3H-indole-7-carbonyl]amino]-3-pyridinyl]methyl]piperazine-1-carboxylate;2-(2-methylphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-3H-indole-7-carboxamide
SMILESCc1ccccc1C1=Nc2c(cccc2C(=O)Nc2ccc(CN3CCN(C(=O)OCc4ccccc4)CC3)cn2)C1.Cc1ccccc1C1=Nc2c(cccc2C(=O)Nc2ccc(CN3CCNCC3)cn2)C1
InChIInChI=1S/C34H33N5O3.C26H27N5O/c1-24-8-5-6-12-28(24)30-20-27-11-7-13-29(32(27)36-30)33(40)37-31-15-14-26(21-35-31)22-38-16-18-39(19-17-38)34(41)42-23-25-9-3-2-4-10-25;1-18-5-2-3-7-21(18)23-15-20-6-4-8-22(25(20)29-23)26(32)30-24-10-9-19(16-28-24)17-31-13-11-27-12-14-31/h2-15,21H,16-20,22-23H2,1H3,(H,35,37,40);2-10,16,27H,11-15,17H2,1H3,(H,28,30,32)
InChIKeySVZJIRKVNMKTIS-UHFFFAOYSA-N
XLogP9.50
TPSA156.75 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500985.21
LogP ≤ 59.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze benzyl 4-[[6-[[2-(2-methylphenyl)-3H-indole-7-carbonyl]amino]-3-pyridinyl]methyl]piperazine-1-carboxylate;2-(2-methylphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-3H-indole-7-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

Methyl 2-fluoro-6-[3-fluoro-4-[[[5-(4-pyridin-4-ylpiperazine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]benzoate
CID 11620871
Benzyl 5-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2,5-diaza-bicyclo[2.2.2]octane-2-carboxylate
CID 44433630
Methyl 2-[4-[[[5-(4-benzylpiperazine-1-carbonyl)-2-pyridinyl]amino]methyl]-3-fluorophenyl]-6-fluorobenzoate
CID 44411080
Methyl 2-fluoro-6-[3-fluoro-4-[[[5-(4-pyridin-3-ylpiperazine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]benzoate
CID 44411138
Methyl 2-fluoro-6-[3-fluoro-4-[[[5-(4-phenylpiperazine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]benzoate
CID 44411245
Methyl 2-fluoro-6-[3-fluoro-4-[[[5-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]benzoate
CID 44411252
Methyl 2-[4-[[[5-(4-cyclohexylpiperazine-1-carbonyl)-2-pyridinyl]amino]methyl]-3-fluorophenyl]-6-fluorobenzoate
CID 44411442
N-[5-(6-cyanospiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)-2-methylphenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 68352642
N-[5-(6-cyanospiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)-2-methylphenyl]-6-piperazin-1-ylpyridine-3-carboxamide
CID 70907805
Methyl 2-({[1-(4-ethylpiperazin-1-yl)isoquinolin-4-yl]carbonyl}amino)benzoate
CID 3239606
Methyl 2-fluoro-6-[2-fluoro-4-[[[5-(4-pyridin-4-ylpiperazine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]benzoate
CID 67131350
Methyl 2,3-difluoro-6-[4-[[[5-(4-pyridin-4-ylpiperazine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]benzoate
CID 67131351

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[[6-[[2-(2-methylphenyl)-3H-indole-7-carbonyl]amino]-3-pyridinyl]methyl]piperazine-1-carboxylate;2-(2-methylphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-3H-indole-7-carboxamide?
The IUPAC name of benzyl 4-[[6-[[2-(2-methylphenyl)-3H-indole-7-carbonyl]amino]-3-pyridinyl]methyl]piperazine-1-carboxylate;2-(2-methylphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-3H-indole-7-carboxamide (CID 123875907) is benzyl 4-[[6-[[2-(2-methylphenyl)-3H-indole-7-carbonyl]amino]-3-pyridinyl]methyl]piperazine-1-carboxylate;2-(2-methylphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-3H-indole-7-carboxamide.
What is the SMILES notation for benzyl 4-[[6-[[2-(2-methylphenyl)-3H-indole-7-carbonyl]amino]-3-pyridinyl]methyl]piperazine-1-carboxylate;2-(2-methylphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-3H-indole-7-carboxamide?
The canonical SMILES for benzyl 4-[[6-[[2-(2-methylphenyl)-3H-indole-7-carbonyl]amino]-3-pyridinyl]methyl]piperazine-1-carboxylate;2-(2-methylphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-3H-indole-7-carboxamide is Cc1ccccc1C1=Nc2c(cccc2C(=O)Nc2ccc(CN3CCN(C(=O)OCc4ccccc4)CC3)cn2)C1.Cc1ccccc1C1=Nc2c(cccc2C(=O)Nc2ccc(CN3CCNCC3)cn2)C1.
What is the InChIKey of benzyl 4-[[6-[[2-(2-methylphenyl)-3H-indole-7-carbonyl]amino]-3-pyridinyl]methyl]piperazine-1-carboxylate;2-(2-methylphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-3H-indole-7-carboxamide?
The InChIKey is SVZJIRKVNMKTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N5O3.C26H27N5O/c1-24-8-5-6-12-28(24)30-20-27-11-7-13-29(32(27)36-30)33(40)37-31-15-14-26(21-35-31)22-38-16-18-39(19-17-38)34(41)42-23-25-9-3-2-4-10-25;1-18-5-2-3-7-21(18)23-15-20-6-4-8-22(25(20)29-23)26(32)30-24-10-9-19(16-28-24)17-31-13-11-27-12-14-31/h2-15,21H,16-20,22-23H2,1H3,(H,35,37,40);2-10,16,27H,11-15,17H2,1H3,(H,28,30,32).
What are the key properties of benzyl 4-[[6-[[2-(2-methylphenyl)-3H-indole-7-carbonyl]amino]-3-pyridinyl]methyl]piperazine-1-carboxylate;2-(2-methylphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-3H-indole-7-carboxamide?
benzyl 4-[[6-[[2-(2-methylphenyl)-3H-indole-7-carbonyl]amino]-3-pyridinyl]methyl]piperazine-1-carboxylate;2-(2-methylphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-3H-indole-7-carboxamide has a molecular weight of 985.21 g/mol, XLogP of 9.50, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[[6-[[2-(2-methylphenyl)-3H-indole-7-carbonyl]amino]-3-pyridinyl]methyl]piperazine-1-carboxylate;2-(2-methylphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-3H-indole-7-carboxamide is sourced from PubChem (CID 123875907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).