2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylpyrazolo[4,3-b]pyridin-3-yl)-4-(trifluoromethyl)benzamide

C24H16F4N6O — CID 118394045

IUPAC2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylpyrazolo[4,3-b]pyridin-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3c4ncccc4nn3-c3ccccc3)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C24H16F4N6O/c1-33-11-9-19(31-33)15-12-16(18(25)13-17(15)24(26,27)28)23(35)30-22-21-20(8-5-10-29-21)32-34(22)14-6-3-2-4-7-14/h2-13H,1H3,(H,30,35)
InChIKeyCMLHXMMFTDDLSH-UHFFFAOYSA-N
MW480.43 g/mol
LogP5.23
Rot. Bonds4

About 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylpyrazolo[4,3-b]pyridin-3-yl)-4-(trifluoromethyl)benzamide

2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylpyrazolo[4,3-b]pyridin-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118394045) has the molecular formula C24H16F4N6O and a molecular weight of 480.43 g/mol. Its IUPAC name is 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylpyrazolo[4,3-b]pyridin-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylpyrazolo[4,3-b]pyridin-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID118394045
Molecular FormulaC24H16F4N6O
Molecular Weight480.43 g/mol
Exact Mass480.13
IUPAC Name2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylpyrazolo[4,3-b]pyridin-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3c4ncccc4nn3-c3ccccc3)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C24H16F4N6O/c1-33-11-9-19(31-33)15-12-16(18(25)13-17(15)24(26,27)28)23(35)30-22-21-20(8-5-10-29-21)32-34(22)14-6-3-2-4-7-14/h2-13H,1H3,(H,30,35)
InChIKeyCMLHXMMFTDDLSH-UHFFFAOYSA-N
XLogP5.23
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.43
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylpyrazolo[4,3-b]pyridin-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylpyrazolo[4,3-b]pyridin-3-yl)-4-(trifluoromethyl)benzamide (CID 118394045) is 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylpyrazolo[4,3-b]pyridin-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylpyrazolo[4,3-b]pyridin-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylpyrazolo[4,3-b]pyridin-3-yl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3c4ncccc4nn3-c3ccccc3)c(F)cc2C(F)(F)F)n1.
What is the InChIKey of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylpyrazolo[4,3-b]pyridin-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is CMLHXMMFTDDLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F4N6O/c1-33-11-9-19(31-33)15-12-16(18(25)13-17(15)24(26,27)28)23(35)30-22-21-20(8-5-10-29-21)32-34(22)14-6-3-2-4-7-14/h2-13H,1H3,(H,30,35).
What are the key properties of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylpyrazolo[4,3-b]pyridin-3-yl)-4-(trifluoromethyl)benzamide?
2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylpyrazolo[4,3-b]pyridin-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 480.43 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylpyrazolo[4,3-b]pyridin-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118394045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).