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

C24H19F3N4O — CID 23120540

IUPACN-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCc1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cn4)cc3)cn12
InChIInChI=1S/C24H19F3N4O/c1-14-22(16-4-5-16)30-21-11-9-19(13-31(14)21)29-23(32)17-6-2-15(3-7-17)20-10-8-18(12-28-20)24(25,26)27/h2-3,6-13,16H,4-5H2,1H3,(H,29,32)
InChIKeyXYXWZHUJKCFOAH-UHFFFAOYSA-N
MW436.44 g/mol
LogP5.85
Rot. Bonds4

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

N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 23120540) has the molecular formula C24H19F3N4O and a molecular weight of 436.44 g/mol. Its IUPAC name is N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID23120540
Molecular FormulaC24H19F3N4O
Molecular Weight436.44 g/mol
Exact Mass436.15
IUPAC NameN-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCc1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cn4)cc3)cn12
InChIInChI=1S/C24H19F3N4O/c1-14-22(16-4-5-16)30-21-11-9-19(13-31(14)21)29-23(32)17-6-2-15(3-7-17)20-10-8-18(12-28-20)24(25,26)27/h2-3,6-13,16H,4-5H2,1H3,(H,29,32)
InChIKeyXYXWZHUJKCFOAH-UHFFFAOYSA-N
XLogP5.85
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.44
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide (CID 23120540) is N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide is Cc1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cn4)cc3)cn12.
What is the InChIKey of N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is XYXWZHUJKCFOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O/c1-14-22(16-4-5-16)30-21-11-9-19(13-31(14)21)29-23(32)17-6-2-15(3-7-17)20-10-8-18(12-28-20)24(25,26)27/h2-3,6-13,16H,4-5H2,1H3,(H,29,32).
What are the key properties of N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 436.44 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 23120540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).