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

C25H20F4N4O3 — CID 46864713

IUPAC[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[6-(furan-3-yl)-3-(1-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCC(O)c1c(C(=O)N2CC=C(c3ncccc3F)CC2)nc2c(C(F)(F)F)cc(-c3ccoc3)cn12
InChIInChI=1S/C25H20F4N4O3/c1-14(34)22-21(24(35)32-8-4-15(5-9-32)20-19(26)3-2-7-30-20)31-23-18(25(27,28)29)11-17(12-33(22)23)16-6-10-36-13-16/h2-4,6-7,10-14,34H,5,8-9H2,1H3
InChIKeyMASQLABGCJOIDU-UHFFFAOYSA-N
MW500.45 g/mol
LogP5.13
Rot. Bonds4

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

[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[6-(furan-3-yl)-3-(1-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 46864713) has the molecular formula C25H20F4N4O3 and a molecular weight of 500.45 g/mol. Its IUPAC name is [4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[6-(furan-3-yl)-3-(1-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Name[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[6-(furan-3-yl)-3-(1-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID46864713
Molecular FormulaC25H20F4N4O3
Molecular Weight500.45 g/mol
Exact Mass500.15
IUPAC Name[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[6-(furan-3-yl)-3-(1-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCC(O)c1c(C(=O)N2CC=C(c3ncccc3F)CC2)nc2c(C(F)(F)F)cc(-c3ccoc3)cn12
InChIInChI=1S/C25H20F4N4O3/c1-14(34)22-21(24(35)32-8-4-15(5-9-32)20-19(26)3-2-7-30-20)31-23-18(25(27,28)29)11-17(12-33(22)23)16-6-10-36-13-16/h2-4,6-7,10-14,34H,5,8-9H2,1H3
InChIKeyMASQLABGCJOIDU-UHFFFAOYSA-N
XLogP5.13
TPSA83.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.45
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[6-(furan-3-yl)-3-(1-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of [4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[6-(furan-3-yl)-3-(1-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone (CID 46864713) is [4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[6-(furan-3-yl)-3-(1-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for [4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[6-(furan-3-yl)-3-(1-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for [4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[6-(furan-3-yl)-3-(1-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone is CC(O)c1c(C(=O)N2CC=C(c3ncccc3F)CC2)nc2c(C(F)(F)F)cc(-c3ccoc3)cn12.
What is the InChIKey of [4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[6-(furan-3-yl)-3-(1-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is MASQLABGCJOIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N4O3/c1-14(34)22-21(24(35)32-8-4-15(5-9-32)20-19(26)3-2-7-30-20)31-23-18(25(27,28)29)11-17(12-33(22)23)16-6-10-36-13-16/h2-4,6-7,10-14,34H,5,8-9H2,1H3.
What are the key properties of [4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[6-(furan-3-yl)-3-(1-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone?
[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[6-(furan-3-yl)-3-(1-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 500.45 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-[6-(furan-3-yl)-3-(1-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 46864713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).