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

C24H20F4N4O3 — CID 70866361

IUPAC[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[6-(furan-3-yl)-3-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCc1c(C(=O)N2CCC(O)(c3ncccc3F)CC2)nc2c(C(F)(F)F)cc(-c3ccoc3)cn12
InChIInChI=1S/C24H20F4N4O3/c1-14-19(22(33)31-8-5-23(34,6-9-31)20-18(25)3-2-7-29-20)30-21-17(24(26,27)28)11-16(12-32(14)21)15-4-10-35-13-15/h2-4,7,10-13,34H,5-6,8-9H2,1H3
InChIKeyQHYQJKXUHGRBJX-UHFFFAOYSA-N
MW488.44 g/mol
LogP4.58
Rot. Bonds3

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

[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[6-(furan-3-yl)-3-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 70866361) has the molecular formula C24H20F4N4O3 and a molecular weight of 488.44 g/mol. Its IUPAC name is [4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[6-(furan-3-yl)-3-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Name[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[6-(furan-3-yl)-3-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID70866361
Molecular FormulaC24H20F4N4O3
Molecular Weight488.44 g/mol
Exact Mass488.15
IUPAC Name[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[6-(furan-3-yl)-3-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCc1c(C(=O)N2CCC(O)(c3ncccc3F)CC2)nc2c(C(F)(F)F)cc(-c3ccoc3)cn12
InChIInChI=1S/C24H20F4N4O3/c1-14-19(22(33)31-8-5-23(34,6-9-31)20-18(25)3-2-7-29-20)30-21-17(24(26,27)28)11-16(12-32(14)21)15-4-10-35-13-15/h2-4,7,10-13,34H,5-6,8-9H2,1H3
InChIKeyQHYQJKXUHGRBJX-UHFFFAOYSA-N
XLogP4.58
TPSA83.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[6-(furan-3-yl)-3-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of [4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[6-(furan-3-yl)-3-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone (CID 70866361) is [4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[6-(furan-3-yl)-3-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for [4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[6-(furan-3-yl)-3-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for [4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[6-(furan-3-yl)-3-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone is Cc1c(C(=O)N2CCC(O)(c3ncccc3F)CC2)nc2c(C(F)(F)F)cc(-c3ccoc3)cn12.
What is the InChIKey of [4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[6-(furan-3-yl)-3-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is QHYQJKXUHGRBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N4O3/c1-14-19(22(33)31-8-5-23(34,6-9-31)20-18(25)3-2-7-29-20)30-21-17(24(26,27)28)11-16(12-32(14)21)15-4-10-35-13-15/h2-4,7,10-13,34H,5-6,8-9H2,1H3.
What are the key properties of [4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[6-(furan-3-yl)-3-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone?
[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[6-(furan-3-yl)-3-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 488.44 g/mol, XLogP of 4.58, 3 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)-4-hydroxypiperidin-1-yl]-[6-(furan-3-yl)-3-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 70866361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).