2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylimidazo[1,5-a]pyrimidin-3-yl)-4-(trifluoromethyl)benzamide

C24H16F4N6O — CID 122604108

IUPAC2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylimidazo[1,5-a]pyrimidin-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cn4cncc4nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C24H16F4N6O/c1-33-8-7-19(32-33)15-9-16(18(25)10-17(15)24(26,27)28)23(35)30-20-12-34-13-29-11-21(34)31-22(20)14-5-3-2-4-6-14/h2-13H,1H3,(H,30,35)
InChIKeyOKYIVRJIVXHLFR-UHFFFAOYSA-N
MW480.43 g/mol
LogP5.21
Rot. Bonds4

About 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylimidazo[1,5-a]pyrimidin-3-yl)-4-(trifluoromethyl)benzamide

2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylimidazo[1,5-a]pyrimidin-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 122604108) 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-phenylimidazo[1,5-a]pyrimidin-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylimidazo[1,5-a]pyrimidin-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID122604108
Molecular FormulaC24H16F4N6O
Molecular Weight480.43 g/mol
Exact Mass480.13
IUPAC Name2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylimidazo[1,5-a]pyrimidin-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cn4cncc4nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C24H16F4N6O/c1-33-8-7-19(32-33)15-9-16(18(25)10-17(15)24(26,27)28)23(35)30-20-12-34-13-29-11-21(34)31-22(20)14-5-3-2-4-6-14/h2-13H,1H3,(H,30,35)
InChIKeyOKYIVRJIVXHLFR-UHFFFAOYSA-N
XLogP5.21
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.43
LogP ≤ 55.21
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-phenylimidazo[1,5-a]pyrimidin-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylimidazo[1,5-a]pyrimidin-3-yl)-4-(trifluoromethyl)benzamide (CID 122604108) is 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylimidazo[1,5-a]pyrimidin-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylimidazo[1,5-a]pyrimidin-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylimidazo[1,5-a]pyrimidin-3-yl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3cn4cncc4nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1.
What is the InChIKey of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylimidazo[1,5-a]pyrimidin-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is OKYIVRJIVXHLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F4N6O/c1-33-8-7-19(32-33)15-9-16(18(25)10-17(15)24(26,27)28)23(35)30-20-12-34-13-29-11-21(34)31-22(20)14-5-3-2-4-6-14/h2-13H,1H3,(H,30,35).
What are the key properties of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylimidazo[1,5-a]pyrimidin-3-yl)-4-(trifluoromethyl)benzamide?
2-fluoro-5-(1-methylpyrazol-3-yl)-N-(2-phenylimidazo[1,5-a]pyrimidin-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 480.43 g/mol, XLogP of 5.21, 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-phenylimidazo[1,5-a]pyrimidin-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 122604108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).