1-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone

C29H26F2N6O — CID 170978132

IUPAC1-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone
SMILESO=C(CN1CCCC[C@H]1Cn1cc(-c2ccc(F)cn2)cn1)c1c(-c2ccccc2)nc2ccc(F)cn12
InChIInChI=1S/C29H26F2N6O/c30-22-9-11-25(32-15-22)21-14-33-36(16-21)18-24-8-4-5-13-35(24)19-26(38)29-28(20-6-2-1-3-7-20)34-27-12-10-23(31)17-37(27)29/h1-3,6-7,9-12,14-17,24H,4-5,8,13,18-19H2/t24-/m0/s1
InChIKeyXEKZTPJVDTVDIG-DEOSSOPVSA-N
MW512.56 g/mol
LogP5.28
Rot. Bonds7

About 1-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone

1-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 170978132) has the molecular formula C29H26F2N6O and a molecular weight of 512.56 g/mol. Its IUPAC name is 1-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone
PubChem CID170978132
Molecular FormulaC29H26F2N6O
Molecular Weight512.56 g/mol
Exact Mass512.21
IUPAC Name1-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone
SMILESO=C(CN1CCCC[C@H]1Cn1cc(-c2ccc(F)cn2)cn1)c1c(-c2ccccc2)nc2ccc(F)cn12
InChIInChI=1S/C29H26F2N6O/c30-22-9-11-25(32-15-22)21-14-33-36(16-21)18-24-8-4-5-13-35(24)19-26(38)29-28(20-6-2-1-3-7-20)34-27-12-10-23(31)17-37(27)29/h1-3,6-7,9-12,14-17,24H,4-5,8,13,18-19H2/t24-/m0/s1
InChIKeyXEKZTPJVDTVDIG-DEOSSOPVSA-N
XLogP5.28
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.56
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]-[2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 170977836
[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]carbamic acid
CID 118020587
(3-cyclohepta-1,3,5-trien-1-ylpyrazolo[1,5-a]pyridin-2-yl)-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 170977887
2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 56780375
2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82060679
(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 170977783
1-cyclopropyl-2-(4-phenylpyrazol-1-yl)ethanone
CID 63912454
(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol
CID 100841531
2-cyclobutyl-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82530196
2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95354502
2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95609233
2-[(2S)-2-(aminomethyl)piperidin-1-yl]-1-pyridin-2-ylethanone
CID 97165412

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone (CID 170978132) is 1-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone is O=C(CN1CCCC[C@H]1Cn1cc(-c2ccc(F)cn2)cn1)c1c(-c2ccccc2)nc2ccc(F)cn12.
What is the InChIKey of 1-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is XEKZTPJVDTVDIG-DEOSSOPVSA-N. The full InChI is InChI=1S/C29H26F2N6O/c30-22-9-11-25(32-15-22)21-14-33-36(16-21)18-24-8-4-5-13-35(24)19-26(38)29-28(20-6-2-1-3-7-20)34-27-12-10-23(31)17-37(27)29/h1-3,6-7,9-12,14-17,24H,4-5,8,13,18-19H2/t24-/m0/s1.
What are the key properties of 1-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone?
1-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 512.56 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 170978132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).