[3-chloro-6-[(E)-2-cyclopropylethenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C24H19ClF4N4O — CID 46864671

IUPAC[3-chloro-6-[(E)-2-cyclopropylethenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(/C=C/C3CC3)cn2c1Cl)N1CC=C(c2ncccc2F)CC1
InChIInChI=1S/C24H19ClF4N4O/c25-21-20(23(34)32-10-7-16(8-11-32)19-18(26)2-1-9-30-19)31-22-17(24(27,28)29)12-15(13-33(21)22)6-5-14-3-4-14/h1-2,5-7,9,12-14H,3-4,8,10-11H2/b6-5+
InChIKeyRYOWIMQSAQRGQW-AATRIKPKSA-N
MW490.89 g/mol
LogP5.89
Rot. Bonds4

About [3-chloro-6-[(E)-2-cyclopropylethenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

[3-chloro-6-[(E)-2-cyclopropylethenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 46864671) has the molecular formula C24H19ClF4N4O and a molecular weight of 490.89 g/mol. Its IUPAC name is [3-chloro-6-[(E)-2-cyclopropylethenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[3-chloro-6-[(E)-2-cyclopropylethenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID46864671
Molecular FormulaC24H19ClF4N4O
Molecular Weight490.89 g/mol
Exact Mass490.12
IUPAC Name[3-chloro-6-[(E)-2-cyclopropylethenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(/C=C/C3CC3)cn2c1Cl)N1CC=C(c2ncccc2F)CC1
InChIInChI=1S/C24H19ClF4N4O/c25-21-20(23(34)32-10-7-16(8-11-32)19-18(26)2-1-9-30-19)31-22-17(24(27,28)29)12-15(13-33(21)22)6-5-14-3-4-14/h1-2,5-7,9,12-14H,3-4,8,10-11H2/b6-5+
InChIKeyRYOWIMQSAQRGQW-AATRIKPKSA-N
XLogP5.89
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.89
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-[(E)-2-cyclopropylethenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [3-chloro-6-[(E)-2-cyclopropylethenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 46864671) is [3-chloro-6-[(E)-2-cyclopropylethenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [3-chloro-6-[(E)-2-cyclopropylethenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [3-chloro-6-[(E)-2-cyclopropylethenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is O=C(c1nc2c(C(F)(F)F)cc(/C=C/C3CC3)cn2c1Cl)N1CC=C(c2ncccc2F)CC1.
What is the InChIKey of [3-chloro-6-[(E)-2-cyclopropylethenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is RYOWIMQSAQRGQW-AATRIKPKSA-N. The full InChI is InChI=1S/C24H19ClF4N4O/c25-21-20(23(34)32-10-7-16(8-11-32)19-18(26)2-1-9-30-19)31-22-17(24(27,28)29)12-15(13-33(21)22)6-5-14-3-4-14/h1-2,5-7,9,12-14H,3-4,8,10-11H2/b6-5+.
What are the key properties of [3-chloro-6-[(E)-2-cyclopropylethenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[3-chloro-6-[(E)-2-cyclopropylethenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 490.89 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-[(E)-2-cyclopropylethenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 46864671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).