1-[2-[[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-2-phenylethanone

C31H24FN5O2 — CID 152814673

IUPAC1-[2-[[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-2-phenylethanone
SMILESCn1cnc(-c2cc(Oc3ccc(Cc4ncccc4C(=O)Cc4ccccc4)cc3F)c3ccnn3c2)c1
InChIInChI=1S/C31H24FN5O2/c1-36-19-27(34-20-36)23-17-31(28-11-13-35-37(28)18-23)39-30-10-9-22(14-25(30)32)15-26-24(8-5-12-33-26)29(38)16-21-6-3-2-4-7-21/h2-14,17-20H,15-16H2,1H3
InChIKeySSDHWCKWSMNYIL-UHFFFAOYSA-N
MW517.56 g/mol
LogP6.08
Rot. Bonds8

About 1-[2-[[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-2-phenylethanone

1-[2-[[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-2-phenylethanone (PubChem CID 152814673) has the molecular formula C31H24FN5O2 and a molecular weight of 517.56 g/mol. Its IUPAC name is 1-[2-[[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-2-phenylethanone.

Molecular Properties

Compound Name1-[2-[[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-2-phenylethanone
PubChem CID152814673
Molecular FormulaC31H24FN5O2
Molecular Weight517.56 g/mol
Exact Mass517.19
IUPAC Name1-[2-[[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-2-phenylethanone
SMILESCn1cnc(-c2cc(Oc3ccc(Cc4ncccc4C(=O)Cc4ccccc4)cc3F)c3ccnn3c2)c1
InChIInChI=1S/C31H24FN5O2/c1-36-19-27(34-20-36)23-17-31(28-11-13-35-37(28)18-23)39-30-10-9-22(14-25(30)32)15-26-24(8-5-12-33-26)29(38)16-21-6-3-2-4-7-21/h2-14,17-20H,15-16H2,1H3
InChIKeySSDHWCKWSMNYIL-UHFFFAOYSA-N
XLogP6.08
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.56
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one
CID 152834497
5-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione
CID 149417288
2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyanilino]-N-phenylpyridine-3-carboxamide
CID 118197732
(4-fluorophenyl) N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]carbamate
CID 118203835
3-methyl-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxybenzamide
CID 122653037
3-[2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one
CID 147404576
1-[2-[[4-[[3-[(1-ethylpiperidin-4-yl)methoxy]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-3-fluorophenyl]methyl]-3-pyridinyl]-2-(4-fluorophenyl)ethanone
CID 58286750
(2E)-2-[[acetyl(ethyl)amino]methylidene]-N-[4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-phenylmethoxyphenyl]-3-oxobutanamide;1-fluoro-4-methylbenzene
CID 144877079
1-[1-[2-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-phenylethanone
CID 159461841
3-(4-fluorophenyl)-N-[3-methyl-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 118203929
N-[3-fluoro-4-[6-(1-methylimidazol-4-yl)indolizin-8-yl]oxyphenyl]pyrimidin-2-amine
CID 134423579
(7E)-1-ethyl-3-(4-fluorophenyl)-N-[4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-phenylmethoxyphenyl]-2,6-dioxo-4,5-dihydro-3H-azocine-7-carboxamide
CID 134423697

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-2-phenylethanone?
The IUPAC name of 1-[2-[[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-2-phenylethanone (CID 152814673) is 1-[2-[[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-2-phenylethanone.
What is the SMILES notation for 1-[2-[[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-2-phenylethanone?
The canonical SMILES for 1-[2-[[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-2-phenylethanone is Cn1cnc(-c2cc(Oc3ccc(Cc4ncccc4C(=O)Cc4ccccc4)cc3F)c3ccnn3c2)c1.
What is the InChIKey of 1-[2-[[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-2-phenylethanone?
The InChIKey is SSDHWCKWSMNYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24FN5O2/c1-36-19-27(34-20-36)23-17-31(28-11-13-35-37(28)18-23)39-30-10-9-22(14-25(30)32)15-26-24(8-5-12-33-26)29(38)16-21-6-3-2-4-7-21/h2-14,17-20H,15-16H2,1H3.
What are the key properties of 1-[2-[[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-2-phenylethanone?
1-[2-[[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-2-phenylethanone has a molecular weight of 517.56 g/mol, XLogP of 6.08, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-2-phenylethanone is sourced from PubChem (CID 152814673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).