N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide

C23H18F3N5O — CID 45270157

IUPACN-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide
SMILESCc1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4cnc(C(F)(F)F)nc4)cc3)cn12
InChIInChI=1S/C23H18F3N5O/c1-13-20(15-4-5-15)30-19-9-8-18(12-31(13)19)29-21(32)16-6-2-14(3-7-16)17-10-27-22(28-11-17)23(24,25)26/h2-3,6-12,15H,4-5H2,1H3,(H,29,32)
InChIKeyFGYZDLINVANVIK-UHFFFAOYSA-N
MW437.43 g/mol
LogP5.25
Rot. Bonds4

About N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide

N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide (PubChem CID 45270157) has the molecular formula C23H18F3N5O and a molecular weight of 437.43 g/mol. Its IUPAC name is N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide
PubChem CID45270157
Molecular FormulaC23H18F3N5O
Molecular Weight437.43 g/mol
Exact Mass437.15
IUPAC NameN-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide
SMILESCc1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4cnc(C(F)(F)F)nc4)cc3)cn12
InChIInChI=1S/C23H18F3N5O/c1-13-20(15-4-5-15)30-19-9-8-18(12-31(13)19)29-21(32)16-6-2-14(3-7-16)17-10-27-22(28-11-17)23(24,25)26/h2-3,6-12,15H,4-5H2,1H3,(H,29,32)
InChIKeyFGYZDLINVANVIK-UHFFFAOYSA-N
XLogP5.25
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.43
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide?
The IUPAC name of N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide (CID 45270157) is N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide?
The canonical SMILES for N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide is Cc1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4cnc(C(F)(F)F)nc4)cc3)cn12.
What is the InChIKey of N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide?
The InChIKey is FGYZDLINVANVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O/c1-13-20(15-4-5-15)30-19-9-8-18(12-31(13)19)29-21(32)16-6-2-14(3-7-16)17-10-27-22(28-11-17)23(24,25)26/h2-3,6-12,15H,4-5H2,1H3,(H,29,32).
What are the key properties of N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide?
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide has a molecular weight of 437.43 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 45270157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).