5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide

C25H21ClF2N6O3 — CID 118456281

IUPAC5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide
SMILESCOCCNC(=O)c1cc(NC(=O)c2cc(-c3nc(N)c(F)cc3F)ccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C25H21ClF2N6O3/c1-37-10-9-30-25(36)20-13-21(34(33-20)15-5-3-2-4-6-15)31-24(35)16-11-14(7-8-17(16)26)22-18(27)12-19(28)23(29)32-22/h2-8,11-13H,9-10H2,1H3,(H2,29,32)(H,30,36)(H,31,35)
InChIKeyIWQVPBNUKDVDHJ-UHFFFAOYSA-N
MW526.93 g/mol
LogP4.08
Rot. Bonds8

About 5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide

5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 118456281) has the molecular formula C25H21ClF2N6O3 and a molecular weight of 526.93 g/mol. Its IUPAC name is 5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide
PubChem CID118456281
Molecular FormulaC25H21ClF2N6O3
Molecular Weight526.93 g/mol
Exact Mass526.13
IUPAC Name5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide
SMILESCOCCNC(=O)c1cc(NC(=O)c2cc(-c3nc(N)c(F)cc3F)ccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C25H21ClF2N6O3/c1-37-10-9-30-25(36)20-13-21(34(33-20)15-5-3-2-4-6-15)31-24(35)16-11-14(7-8-17(16)26)22-18(27)12-19(28)23(29)32-22/h2-8,11-13H,9-10H2,1H3,(H2,29,32)(H,30,36)(H,31,35)
InChIKeyIWQVPBNUKDVDHJ-UHFFFAOYSA-N
XLogP4.08
TPSA124.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.93
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(3-hydroxypropyl)-1-phenylpyrazole-3-carboxamide
CID 130200388
5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide
CID 130225333
ethyl 5-[[5-(6-amino-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxylate
CID 118456247
5-[[5-(6-amino-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 118456284
5-[[2-chloro-5-[3-chloro-6-(methylamino)-2-pyridinyl]benzoyl]amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide
CID 123799011
N-[(2S)-2-aminopropyl]-5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 126962770
5-(6-amino-3-fluoro-2-pyridinyl)-2-chloro-N-[3-(4-hydroxybutanoyl)-1-phenylpyrazol-5-yl]benzamide
CID 160697076
N-(3-amino-2-methylpropyl)-5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 126962778
ethyl 5-[[2-chloro-5-[3-chloro-6-(methoxymethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxylate
CID 118497080
5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-hydroxy-3-methoxypropyl)-1-phenylpyrazole-3-carboxamide
CID 123815557
5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenyl-N-(1H-pyrazol-4-ylmethyl)pyrazole-3-carboxamide
CID 118497127
5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]-1-phenylpyrazole-3-carboxamide
CID 130200355

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide (CID 118456281) is 5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide is COCCNC(=O)c1cc(NC(=O)c2cc(-c3nc(N)c(F)cc3F)ccc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is IWQVPBNUKDVDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF2N6O3/c1-37-10-9-30-25(36)20-13-21(34(33-20)15-5-3-2-4-6-15)31-24(35)16-11-14(7-8-17(16)26)22-18(27)12-19(28)23(29)32-22/h2-8,11-13H,9-10H2,1H3,(H2,29,32)(H,30,36)(H,31,35).
What are the key properties of 5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide?
5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 526.93 g/mol, XLogP of 4.08, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 118456281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).