5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-hydroxy-3-methoxypropyl)-1-phenylpyrazole-3-carboxamide

C26H25ClN6O4 — CID 123815557

IUPAC5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-hydroxy-3-methoxypropyl)-1-phenylpyrazole-3-carboxamide
SMILESCOCC(O)CNC(=O)c1cc(NC(=O)c2cc(-c3cccc(N)n3)ccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C26H25ClN6O4/c1-37-15-18(34)14-29-26(36)22-13-24(33(32-22)17-6-3-2-4-7-17)31-25(35)19-12-16(10-11-20(19)27)21-8-5-9-23(28)30-21/h2-13,18,34H,14-15H2,1H3,(H2,28,30)(H,29,36)(H,31,35)
InChIKeyQJFLCSLFASRFDA-UHFFFAOYSA-N
MW520.98 g/mol
LogP3.16
Rot. Bonds9

About 5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-hydroxy-3-methoxypropyl)-1-phenylpyrazole-3-carboxamide

5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-hydroxy-3-methoxypropyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 123815557) has the molecular formula C26H25ClN6O4 and a molecular weight of 520.98 g/mol. Its IUPAC name is 5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-hydroxy-3-methoxypropyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-hydroxy-3-methoxypropyl)-1-phenylpyrazole-3-carboxamide
PubChem CID123815557
Molecular FormulaC26H25ClN6O4
Molecular Weight520.98 g/mol
Exact Mass520.16
IUPAC Name5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-hydroxy-3-methoxypropyl)-1-phenylpyrazole-3-carboxamide
SMILESCOCC(O)CNC(=O)c1cc(NC(=O)c2cc(-c3cccc(N)n3)ccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C26H25ClN6O4/c1-37-15-18(34)14-29-26(36)22-13-24(33(32-22)17-6-3-2-4-7-17)31-25(35)19-12-16(10-11-20(19)27)21-8-5-9-23(28)30-21/h2-13,18,34H,14-15H2,1H3,(H2,28,30)(H,29,36)(H,31,35)
InChIKeyQJFLCSLFASRFDA-UHFFFAOYSA-N
XLogP3.16
TPSA144.39 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.98
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-hydroxy-3-methoxypropyl)-1-phenylpyrazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]-1-phenylpyrazole-3-carboxamide
CID 130200355
5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 118456253
5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-[(3-methyloxetan-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
CID 130211670
5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
CID 130200394
5-(6-amino-2-pyridinyl)-2-chloro-N-[3-(3-cyclopropylpropanoyl)-1-phenylpyrazol-5-yl]benzamide
CID 130211675
5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-[(1R)-3-oxocyclopentyl]-1-phenylpyrazole-3-carboxamide
CID 162001161
5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide
CID 118456281
5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide
CID 130225333
5-[[2-chloro-5-[6-(methylamino)-2-pyridinyl]benzoyl]amino]-N-[(1-hydroxycyclobutyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 123911981
[6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]-3-chloro-2-pyridinyl]carbamic acid
CID 118456364
ethyl 5-[[5-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzoyl]amino]-1-phenylpyrazole-3-carboxylate
CID 118456303
5-[[2-chloro-5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxylic acid
CID 118456261

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-hydroxy-3-methoxypropyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-hydroxy-3-methoxypropyl)-1-phenylpyrazole-3-carboxamide (CID 123815557) is 5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-hydroxy-3-methoxypropyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-hydroxy-3-methoxypropyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-hydroxy-3-methoxypropyl)-1-phenylpyrazole-3-carboxamide is COCC(O)CNC(=O)c1cc(NC(=O)c2cc(-c3cccc(N)n3)ccc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-hydroxy-3-methoxypropyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is QJFLCSLFASRFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6O4/c1-37-15-18(34)14-29-26(36)22-13-24(33(32-22)17-6-3-2-4-7-17)31-25(35)19-12-16(10-11-20(19)27)21-8-5-9-23(28)30-21/h2-13,18,34H,14-15H2,1H3,(H2,28,30)(H,29,36)(H,31,35).
What are the key properties of 5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-hydroxy-3-methoxypropyl)-1-phenylpyrazole-3-carboxamide?
5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-hydroxy-3-methoxypropyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 520.98 g/mol, XLogP of 3.16, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-hydroxy-3-methoxypropyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 123815557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).