3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one

C22H13ClF2N8O — CID 158167646

IUPAC3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one
SMILESFc1ccc2ncc(-c3nccc(Cl)n3)n2c1.O=c1ccnc(-c2cnc3ccc(F)cn23)[nH]1
InChIInChI=1S/C11H6ClFN4.C11H7FN4O/c12-9-3-4-14-11(16-9)8-5-15-10-2-1-7(13)6-17(8)10;12-7-1-2-9-14-5-8(16(9)6-7)11-13-4-3-10(17)15-11/h1-6H;1-6H,(H,13,15,17)
InChIKeyFXAVOARTJQOPDX-UHFFFAOYSA-N
MW478.85 g/mol
LogP3.81
Rot. Bonds2

About 3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one

3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one (PubChem CID 158167646) has the molecular formula C22H13ClF2N8O and a molecular weight of 478.85 g/mol. Its IUPAC name is 3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one
PubChem CID158167646
Molecular FormulaC22H13ClF2N8O
Molecular Weight478.85 g/mol
Exact Mass478.09
IUPAC Name3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one
SMILESFc1ccc2ncc(-c3nccc(Cl)n3)n2c1.O=c1ccnc(-c2cnc3ccc(F)cn23)[nH]1
InChIInChI=1S/C11H6ClFN4.C11H7FN4O/c12-9-3-4-14-11(16-9)8-5-15-10-2-1-7(13)6-17(8)10;12-7-1-2-9-14-5-8(16(9)6-7)11-13-4-3-10(17)15-11/h1-6H;1-6H,(H,13,15,17)
InChIKeyFXAVOARTJQOPDX-UHFFFAOYSA-N
XLogP3.81
TPSA106.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.85
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-((5-chloro-1-(4,4,4-trifluorobutyl)-1H-imidazo[4,5-b]pyridin-2-yl)methyl)-1-cyclopropyl-1H-imidazo[4,5-c]pyridin-2(3H)-one
CID 86698151
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-7H-purin-8-one
CID 56591424
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-7H-purin-8-one
CID 67123577
9-methyl-6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)purine-8-carboxamide
CID 68070485
3-[[5-Chloro-1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 88538331
1-[4-[8-Anilino-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]purin-9-yl]piperidin-1-yl]prop-2-en-1-one
CID 162356165
Exemplary Synthetic Procedure #37
CID 166961766
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 2349288
8-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylimidazo[1,2-a]pyrazine-6-carboxamide
CID 44415428
4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-ethylpiperidine-1-carboxamide
CID 44440215
1-[4-[4-[(4-Imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
CID 56670167
N-[4-[4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 118710465

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one (CID 158167646) is 3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one is Fc1ccc2ncc(-c3nccc(Cl)n3)n2c1.O=c1ccnc(-c2cnc3ccc(F)cn23)[nH]1.
What is the InChIKey of 3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is FXAVOARTJQOPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN4.C11H7FN4O/c12-9-3-4-14-11(16-9)8-5-15-10-2-1-7(13)6-17(8)10;12-7-1-2-9-14-5-8(16(9)6-7)11-13-4-3-10(17)15-11/h1-6H;1-6H,(H,13,15,17).
What are the key properties of 3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one?
3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one has a molecular weight of 478.85 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 158167646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).