N-(6-methyl-2-phenylimidazo[1,5-a]pyrimidin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

C25H19F3N6O — CID 122604106

IUPACN-(6-methyl-2-phenylimidazo[1,5-a]pyrimidin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCc1ncc2nc(-c3ccccc3)c(NC(=O)c3ccc(C(F)(F)F)c(-c4ccn(C)n4)c3)cn12
InChIInChI=1S/C25H19F3N6O/c1-15-29-13-22-31-23(16-6-4-3-5-7-16)21(14-34(15)22)30-24(35)17-8-9-19(25(26,27)28)18(12-17)20-10-11-33(2)32-20/h3-14H,1-2H3,(H,30,35)
InChIKeyTWNHADBVNWIPTB-UHFFFAOYSA-N
MW476.46 g/mol
LogP5.38
Rot. Bonds4

About N-(6-methyl-2-phenylimidazo[1,5-a]pyrimidin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

N-(6-methyl-2-phenylimidazo[1,5-a]pyrimidin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 122604106) has the molecular formula C25H19F3N6O and a molecular weight of 476.46 g/mol. Its IUPAC name is N-(6-methyl-2-phenylimidazo[1,5-a]pyrimidin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(6-methyl-2-phenylimidazo[1,5-a]pyrimidin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID122604106
Molecular FormulaC25H19F3N6O
Molecular Weight476.46 g/mol
Exact Mass476.16
IUPAC NameN-(6-methyl-2-phenylimidazo[1,5-a]pyrimidin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCc1ncc2nc(-c3ccccc3)c(NC(=O)c3ccc(C(F)(F)F)c(-c4ccn(C)n4)c3)cn12
InChIInChI=1S/C25H19F3N6O/c1-15-29-13-22-31-23(16-6-4-3-5-7-16)21(14-34(15)22)30-24(35)17-8-9-19(25(26,27)28)18(12-17)20-10-11-33(2)32-20/h3-14H,1-2H3,(H,30,35)
InChIKeyTWNHADBVNWIPTB-UHFFFAOYSA-N
XLogP5.38
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.46
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-phenylimidazo[1,5-a]pyrimidin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(6-methyl-2-phenylimidazo[1,5-a]pyrimidin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 122604106) is N-(6-methyl-2-phenylimidazo[1,5-a]pyrimidin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(6-methyl-2-phenylimidazo[1,5-a]pyrimidin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(6-methyl-2-phenylimidazo[1,5-a]pyrimidin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cc1ncc2nc(-c3ccccc3)c(NC(=O)c3ccc(C(F)(F)F)c(-c4ccn(C)n4)c3)cn12.
What is the InChIKey of N-(6-methyl-2-phenylimidazo[1,5-a]pyrimidin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is TWNHADBVNWIPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O/c1-15-29-13-22-31-23(16-6-4-3-5-7-16)21(14-34(15)22)30-24(35)17-8-9-19(25(26,27)28)18(12-17)20-10-11-33(2)32-20/h3-14H,1-2H3,(H,30,35).
What are the key properties of N-(6-methyl-2-phenylimidazo[1,5-a]pyrimidin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
N-(6-methyl-2-phenylimidazo[1,5-a]pyrimidin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 476.46 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-phenylimidazo[1,5-a]pyrimidin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 122604106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).