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

C25H20F3N3O — CID 23120564

IUPACN-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cn12
InChIInChI=1S/C25H20F3N3O/c1-15-23(18-4-5-18)30-22-13-12-21(14-31(15)22)29-24(32)19-6-2-16(3-7-19)17-8-10-20(11-9-17)25(26,27)28/h2-3,6-14,18H,4-5H2,1H3,(H,29,32)
InChIKeyYTHMURPQLYPGKV-UHFFFAOYSA-N
MW435.45 g/mol
LogP6.46
Rot. Bonds4

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

N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 23120564) has the molecular formula C25H20F3N3O and a molecular weight of 435.45 g/mol. Its IUPAC name is N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID23120564
Molecular FormulaC25H20F3N3O
Molecular Weight435.45 g/mol
Exact Mass435.16
IUPAC NameN-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cn12
InChIInChI=1S/C25H20F3N3O/c1-15-23(18-4-5-18)30-22-13-12-21(14-31(15)22)29-24(32)19-6-2-16(3-7-19)17-8-10-20(11-9-17)25(26,27)28/h2-3,6-14,18H,4-5H2,1H3,(H,29,32)
InChIKeyYTHMURPQLYPGKV-UHFFFAOYSA-N
XLogP6.46
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.45
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide (CID 23120564) is N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide is Cc1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cn12.
What is the InChIKey of N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is YTHMURPQLYPGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O/c1-15-23(18-4-5-18)30-22-13-12-21(14-31(15)22)29-24(32)19-6-2-16(3-7-19)17-8-10-20(11-9-17)25(26,27)28/h2-3,6-14,18H,4-5H2,1H3,(H,29,32).
What are the key properties of N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide?
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 435.45 g/mol, XLogP of 6.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 23120564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).