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

C24H18ClFN6O3 — CID 118497068

IUPAC5-[[5-(6-acetamido-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESCC(=O)Nc1ccc(F)c(-c2ccc(Cl)c(C(=O)Nc3cc(C(N)=O)nn3-c3ccccc3)c2)n1
InChIInChI=1S/C24H18ClFN6O3/c1-13(33)28-20-10-9-18(26)22(29-20)14-7-8-17(25)16(11-14)24(35)30-21-12-19(23(27)34)31-32(21)15-5-3-2-4-6-15/h2-12H,1H3,(H2,27,34)(H,30,35)(H,28,29,33)
InChIKeyRPIKKEALPAYCDX-UHFFFAOYSA-N
MW492.90 g/mol
LogP4.04
Rot. Bonds6

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

5-[[5-(6-acetamido-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide (PubChem CID 118497068) has the molecular formula C24H18ClFN6O3 and a molecular weight of 492.90 g/mol. Its IUPAC name is 5-[[5-(6-acetamido-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[[5-(6-acetamido-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
PubChem CID118497068
Molecular FormulaC24H18ClFN6O3
Molecular Weight492.90 g/mol
Exact Mass492.11
IUPAC Name5-[[5-(6-acetamido-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESCC(=O)Nc1ccc(F)c(-c2ccc(Cl)c(C(=O)Nc3cc(C(N)=O)nn3-c3ccccc3)c2)n1
InChIInChI=1S/C24H18ClFN6O3/c1-13(33)28-20-10-9-18(26)22(29-20)14-7-8-17(25)16(11-14)24(35)30-21-12-19(23(27)34)31-32(21)15-5-3-2-4-6-15/h2-12H,1H3,(H2,27,34)(H,30,35)(H,28,29,33)
InChIKeyRPIKKEALPAYCDX-UHFFFAOYSA-N
XLogP4.04
TPSA132.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.90
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(6-acetamido-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[[5-(6-acetamido-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide (CID 118497068) is 5-[[5-(6-acetamido-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[[5-(6-acetamido-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[[5-(6-acetamido-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide is CC(=O)Nc1ccc(F)c(-c2ccc(Cl)c(C(=O)Nc3cc(C(N)=O)nn3-c3ccccc3)c2)n1.
What is the InChIKey of 5-[[5-(6-acetamido-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The InChIKey is RPIKKEALPAYCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN6O3/c1-13(33)28-20-10-9-18(26)22(29-20)14-7-8-17(25)16(11-14)24(35)30-21-12-19(23(27)34)31-32(21)15-5-3-2-4-6-15/h2-12H,1H3,(H2,27,34)(H,30,35)(H,28,29,33).
What are the key properties of 5-[[5-(6-acetamido-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide?
5-[[5-(6-acetamido-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide has a molecular weight of 492.90 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(6-acetamido-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 118497068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).