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

C24H17ClF4N4O2 — CID 46864984

IUPAC[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCc1ccc(F)c(C2=CCN(C(=O)c3nc4c(C(F)(F)F)cc(-c5ccoc5)cn4c3Cl)CC2)n1
InChIInChI=1S/C24H17ClF4N4O2/c1-13-2-3-18(26)19(30-13)14-4-7-32(8-5-14)23(34)20-21(25)33-11-16(15-6-9-35-12-15)10-17(22(33)31-20)24(27,28)29/h2-4,6,9-12H,5,7-8H2,1H3
InChIKeyHJEBZZCVYOCNCI-UHFFFAOYSA-N
MW504.87 g/mol
LogP6.04
Rot. Bonds3

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

[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 46864984) has the molecular formula C24H17ClF4N4O2 and a molecular weight of 504.87 g/mol. Its IUPAC name is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID46864984
Molecular FormulaC24H17ClF4N4O2
Molecular Weight504.87 g/mol
Exact Mass504.10
IUPAC Name[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCc1ccc(F)c(C2=CCN(C(=O)c3nc4c(C(F)(F)F)cc(-c5ccoc5)cn4c3Cl)CC2)n1
InChIInChI=1S/C24H17ClF4N4O2/c1-13-2-3-18(26)19(30-13)14-4-7-32(8-5-14)23(34)20-21(25)33-11-16(15-6-9-35-12-15)10-17(22(33)31-20)24(27,28)29/h2-4,6,9-12H,5,7-8H2,1H3
InChIKeyHJEBZZCVYOCNCI-UHFFFAOYSA-N
XLogP6.04
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.87
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 46864984) is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is Cc1ccc(F)c(C2=CCN(C(=O)c3nc4c(C(F)(F)F)cc(-c5ccoc5)cn4c3Cl)CC2)n1.
What is the InChIKey of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is HJEBZZCVYOCNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF4N4O2/c1-13-2-3-18(26)19(30-13)14-4-7-32(8-5-14)23(34)20-21(25)33-11-16(15-6-9-35-12-15)10-17(22(33)31-20)24(27,28)29/h2-4,6,9-12H,5,7-8H2,1H3.
What are the key properties of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 504.87 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 46864984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).