3-[5-[5-[2-amino-6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-1-methylpyrazol-3-yl]furan-3-yl]-N-[6-amino-3-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-chlorobenzamide

C42H32Cl2N10O3 — CID 123141618

IUPAC3-[5-[5-[2-amino-6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-1-methylpyrazol-3-yl]furan-3-yl]-N-[6-amino-3-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-chlorobenzamide
SMILESCn1nc(-c2cc(-c3cccc(C(=O)Nc4nc(N)ccc4-c4cc(-c5ccccc5)nn4C)c3Cl)co2)cc1-c1ccc(NC(=O)c2ccccc2Cl)nc1N
InChIInChI=1S/C42H32Cl2N10O3/c1-53-33(27-16-18-37(48-39(27)46)49-41(55)26-11-6-7-14-30(26)43)21-32(52-53)35-19-24(22-57-35)25-12-8-13-29(38(25)44)42(56)50-40-28(15-17-36(45)47-40)34-20-31(51-54(34)2)23-9-4-3-5-10-23/h3-22H,1-2H3,(H3,45,47,50,56)(H3,46,48,49,55)
InChIKeyGPBQOMRFCJOMDQ-UHFFFAOYSA-N
MW795.69 g/mol
LogP8.85
Rot. Bonds9

About 3-[5-[5-[2-amino-6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-1-methylpyrazol-3-yl]furan-3-yl]-N-[6-amino-3-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-chlorobenzamide

3-[5-[5-[2-amino-6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-1-methylpyrazol-3-yl]furan-3-yl]-N-[6-amino-3-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-chlorobenzamide (PubChem CID 123141618) has the molecular formula C42H32Cl2N10O3 and a molecular weight of 795.69 g/mol. Its IUPAC name is 3-[5-[5-[2-amino-6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-1-methylpyrazol-3-yl]furan-3-yl]-N-[6-amino-3-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-chlorobenzamide.

Molecular Properties

Compound Name3-[5-[5-[2-amino-6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-1-methylpyrazol-3-yl]furan-3-yl]-N-[6-amino-3-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-chlorobenzamide
PubChem CID123141618
Molecular FormulaC42H32Cl2N10O3
Molecular Weight795.69 g/mol
Exact Mass794.20
IUPAC Name3-[5-[5-[2-amino-6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-1-methylpyrazol-3-yl]furan-3-yl]-N-[6-amino-3-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-chlorobenzamide
SMILESCn1nc(-c2cc(-c3cccc(C(=O)Nc4nc(N)ccc4-c4cc(-c5ccccc5)nn4C)c3Cl)co2)cc1-c1ccc(NC(=O)c2ccccc2Cl)nc1N
InChIInChI=1S/C42H32Cl2N10O3/c1-53-33(27-16-18-37(48-39(27)46)49-41(55)26-11-6-7-14-30(26)43)21-32(52-53)35-19-24(22-57-35)25-12-8-13-29(38(25)44)42(56)50-40-28(15-17-36(45)47-40)34-20-31(51-54(34)2)23-9-4-3-5-10-23/h3-22H,1-2H3,(H3,45,47,50,56)(H3,46,48,49,55)
InChIKeyGPBQOMRFCJOMDQ-UHFFFAOYSA-N
XLogP8.85
TPSA184.80 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500795.69
LogP ≤ 58.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 3-[5-[5-[2-amino-6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-1-methylpyrazol-3-yl]furan-3-yl]-N-[6-amino-3-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-chlorobenzamide with MolForge

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Launch Full Analysis

Related Compounds

N-(6-amino-5-bromo-2-pyridinyl)-2-fluorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;[3-(furan-2-yl)-1-methylpyrazol-5-yl]boronic acid;methane
CID 159062164
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 58486832
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxybenzamide
CID 58487164
2-chloro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
CID 56848350
2-fluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide
CID 58487519
N-(6-carbamoyl-2-pyridinyl)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 166212360
5-amino-2,3-dichloro-N-(6-chloro-2-pyridinyl)benzamide
CID 107185680
N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide
CID 170346149
(2-phenyl-1,3-oxazol-4-yl)methyl 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42986911
N-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzamide
CID 58997299
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide
CID 21105221
5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid
CID 68759354

Frequently Asked Questions

What is the IUPAC name of 3-[5-[5-[2-amino-6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-1-methylpyrazol-3-yl]furan-3-yl]-N-[6-amino-3-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-chlorobenzamide?
The IUPAC name of 3-[5-[5-[2-amino-6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-1-methylpyrazol-3-yl]furan-3-yl]-N-[6-amino-3-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-chlorobenzamide (CID 123141618) is 3-[5-[5-[2-amino-6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-1-methylpyrazol-3-yl]furan-3-yl]-N-[6-amino-3-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-chlorobenzamide.
What is the SMILES notation for 3-[5-[5-[2-amino-6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-1-methylpyrazol-3-yl]furan-3-yl]-N-[6-amino-3-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-chlorobenzamide?
The canonical SMILES for 3-[5-[5-[2-amino-6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-1-methylpyrazol-3-yl]furan-3-yl]-N-[6-amino-3-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-chlorobenzamide is Cn1nc(-c2cc(-c3cccc(C(=O)Nc4nc(N)ccc4-c4cc(-c5ccccc5)nn4C)c3Cl)co2)cc1-c1ccc(NC(=O)c2ccccc2Cl)nc1N.
What is the InChIKey of 3-[5-[5-[2-amino-6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-1-methylpyrazol-3-yl]furan-3-yl]-N-[6-amino-3-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-chlorobenzamide?
The InChIKey is GPBQOMRFCJOMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32Cl2N10O3/c1-53-33(27-16-18-37(48-39(27)46)49-41(55)26-11-6-7-14-30(26)43)21-32(52-53)35-19-24(22-57-35)25-12-8-13-29(38(25)44)42(56)50-40-28(15-17-36(45)47-40)34-20-31(51-54(34)2)23-9-4-3-5-10-23/h3-22H,1-2H3,(H3,45,47,50,56)(H3,46,48,49,55).
What are the key properties of 3-[5-[5-[2-amino-6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-1-methylpyrazol-3-yl]furan-3-yl]-N-[6-amino-3-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-chlorobenzamide?
3-[5-[5-[2-amino-6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-1-methylpyrazol-3-yl]furan-3-yl]-N-[6-amino-3-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-chlorobenzamide has a molecular weight of 795.69 g/mol, XLogP of 8.85, 9 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[5-[2-amino-6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-1-methylpyrazol-3-yl]furan-3-yl]-N-[6-amino-3-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]-2-chlorobenzamide is sourced from PubChem (CID 123141618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).