N-(3-amino-2-methylpropyl)-5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide

C26H24ClFN6O2 — CID 126962778

IUPACN-(3-amino-2-methylpropyl)-5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESCC(CN)CNC(=O)c1cc(NC(=O)c2cc(-c3ncccc3F)ccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C26H24ClFN6O2/c1-16(14-29)15-31-26(36)22-13-23(34(33-22)18-6-3-2-4-7-18)32-25(35)19-12-17(9-10-20(19)27)24-21(28)8-5-11-30-24/h2-13,16H,14-15,29H2,1H3,(H,31,36)(H,32,35)
InChIKeyVROUYVANZVHUPN-UHFFFAOYSA-N
MW506.97 g/mol
LogP4.30
Rot. Bonds8

About N-(3-amino-2-methylpropyl)-5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide

N-(3-amino-2-methylpropyl)-5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide (PubChem CID 126962778) has the molecular formula C26H24ClFN6O2 and a molecular weight of 506.97 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide
PubChem CID126962778
Molecular FormulaC26H24ClFN6O2
Molecular Weight506.97 g/mol
Exact Mass506.16
IUPAC NameN-(3-amino-2-methylpropyl)-5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESCC(CN)CNC(=O)c1cc(NC(=O)c2cc(-c3ncccc3F)ccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C26H24ClFN6O2/c1-16(14-29)15-31-26(36)22-13-23(34(33-22)18-6-3-2-4-7-18)32-25(35)19-12-17(9-10-20(19)27)24-21(28)8-5-11-30-24/h2-13,16H,14-15,29H2,1H3,(H,31,36)(H,32,35)
InChIKeyVROUYVANZVHUPN-UHFFFAOYSA-N
XLogP4.30
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.97
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(3-amino-2-methylpropyl)-5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-2-aminopropyl]-5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 126962770
5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenyl-N-(1H-pyrazol-4-ylmethyl)pyrazole-3-carboxamide
CID 118497127
5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
CID 126963249
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-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-phenylpyrazole-3-carboxamide
CID 126963245
2-chloro-5-(3-fluoro-2-pyridinyl)-N-[3-[2-(5-methyl-1H-pyrazol-4-yl)acetyl]-1-phenylpyrazol-5-yl]benzamide
CID 159479336
5-[[2-chloro-4-fluoro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide
CID 126962679
2-chloro-5-(3-fluoro-2-pyridinyl)-N-[1-phenyl-3-[3-(4H-pyrazol-3-yl)propanoyl]pyrazol-5-yl]benzamide
CID 158294951
5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(3-fluoropiperidin-4-yl)-1-phenylpyrazole-3-carboxamide
CID 126962814
5-[[2-chloro-4-fluoro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-[(2S)-1-hydroxypropan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 126962970
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-(3-hydroxypropyl)-1-phenylpyrazole-3-carboxamide
CID 130200388

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide (CID 126962778) is N-(3-amino-2-methylpropyl)-5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide is CC(CN)CNC(=O)c1cc(NC(=O)c2cc(-c3ncccc3F)ccc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The InChIKey is VROUYVANZVHUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN6O2/c1-16(14-29)15-31-26(36)22-13-23(34(33-22)18-6-3-2-4-7-18)32-25(35)19-12-17(9-10-20(19)27)24-21(28)8-5-11-30-24/h2-13,16H,14-15,29H2,1H3,(H,31,36)(H,32,35).
What are the key properties of N-(3-amino-2-methylpropyl)-5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
N-(3-amino-2-methylpropyl)-5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide has a molecular weight of 506.97 g/mol, XLogP of 4.30, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 126962778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).