5-[[5-(6-amino-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide

C22H16ClFN6O2 — CID 118456284

IUPAC5-[[5-(6-amino-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2cc(-c3nc(N)ccc3F)ccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C22H16ClFN6O2/c23-15-7-6-12(20-16(24)8-9-18(25)27-20)10-14(15)22(32)28-19-11-17(21(26)31)29-30(19)13-4-2-1-3-5-13/h1-11H,(H2,25,27)(H2,26,31)(H,28,32)
InChIKeyIXNXAHBCNRNUOM-UHFFFAOYSA-N
MW450.86 g/mol
LogP3.66
Rot. Bonds5

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

5-[[5-(6-amino-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide (PubChem CID 118456284) has the molecular formula C22H16ClFN6O2 and a molecular weight of 450.86 g/mol. Its IUPAC name is 5-[[5-(6-amino-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[[5-(6-amino-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
PubChem CID118456284
Molecular FormulaC22H16ClFN6O2
Molecular Weight450.86 g/mol
Exact Mass450.10
IUPAC Name5-[[5-(6-amino-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2cc(-c3nc(N)ccc3F)ccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C22H16ClFN6O2/c23-15-7-6-12(20-16(24)8-9-18(25)27-20)10-14(15)22(32)28-19-11-17(21(26)31)29-30(19)13-4-2-1-3-5-13/h1-11H,(H2,25,27)(H2,26,31)(H,28,32)
InChIKeyIXNXAHBCNRNUOM-UHFFFAOYSA-N
XLogP3.66
TPSA128.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.86
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[[5-(6-amino-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxylate
CID 118456247
5-(6-amino-3-fluoro-2-pyridinyl)-2-chloro-N-[3-(4-hydroxybutanoyl)-1-phenylpyrazol-5-yl]benzamide
CID 160697076
5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 118456253
5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(3-hydroxypropyl)-1-phenylpyrazole-3-carboxamide
CID 130200388
[6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]-3-chloro-2-pyridinyl]carbamic acid
CID 118456364
5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide
CID 130225333
5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide
CID 118456281
N-[(2S)-2-aminopropyl]-5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 126962770
N-(3-amino-2-methylpropyl)-5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 126962778
5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]-1-phenylpyrazole-3-carboxamide
CID 130200355
5-[[2-chloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-1-phenyl-N-(1H-pyrazol-4-ylmethyl)pyrazole-3-carboxamide
CID 118497127
2-chloro-5-(3-fluoro-2-pyridinyl)-N-[1-phenyl-3-[3-(4H-pyrazol-3-yl)propanoyl]pyrazol-5-yl]benzamide
CID 158294951

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(6-amino-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[[5-(6-amino-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide (CID 118456284) is 5-[[5-(6-amino-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[[5-(6-amino-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[[5-(6-amino-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide is NC(=O)c1cc(NC(=O)c2cc(-c3nc(N)ccc3F)ccc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 5-[[5-(6-amino-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The InChIKey is IXNXAHBCNRNUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN6O2/c23-15-7-6-12(20-16(24)8-9-18(25)27-20)10-14(15)22(32)28-19-11-17(21(26)31)29-30(19)13-4-2-1-3-5-13/h1-11H,(H2,25,27)(H2,26,31)(H,28,32).
What are the key properties of 5-[[5-(6-amino-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide?
5-[[5-(6-amino-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide has a molecular weight of 450.86 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(6-amino-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 118456284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).