4-[6-(4-acetylpiperazin-1-yl)-5-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C23H21FN8O — CID 148500655

IUPAC4-[6-(4-acetylpiperazin-1-yl)-5-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(=O)N1CCN(c2ncc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cc2F)CC1
InChIInChI=1S/C23H21FN8O/c1-15(33)30-3-5-31(6-4-30)23-21(24)8-16(10-26-23)20-7-17(19-12-27-29(2)13-19)14-32-22(20)18(9-25)11-28-32/h7-8,10-14H,3-6H2,1-2H3
InChIKeyMKOTUMCIFHPEJV-UHFFFAOYSA-N
MW444.47 g/mol
LogP2.48
Rot. Bonds3

About 4-[6-(4-acetylpiperazin-1-yl)-5-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-(4-acetylpiperazin-1-yl)-5-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 148500655) has the molecular formula C23H21FN8O and a molecular weight of 444.47 g/mol. Its IUPAC name is 4-[6-(4-acetylpiperazin-1-yl)-5-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-(4-acetylpiperazin-1-yl)-5-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID148500655
Molecular FormulaC23H21FN8O
Molecular Weight444.47 g/mol
Exact Mass444.18
IUPAC Name4-[6-(4-acetylpiperazin-1-yl)-5-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(=O)N1CCN(c2ncc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cc2F)CC1
InChIInChI=1S/C23H21FN8O/c1-15(33)30-3-5-31(6-4-30)23-21(24)8-16(10-26-23)20-7-17(19-12-27-29(2)13-19)14-32-22(20)18(9-25)11-28-32/h7-8,10-14H,3-6H2,1-2H3
InChIKeyMKOTUMCIFHPEJV-UHFFFAOYSA-N
XLogP2.48
TPSA95.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-ethoxy-4-[5-fluoro-6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667161
4-[6-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740252
4-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 126740404
4-[6-[4-(3-fluoropyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740138
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-cyclopropyl-N-methylpiperazine-1-carboxamide;2,2,2-trifluoroacetaldehyde
CID 157078083
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-ethyl-N-methylpiperazine-1-carboxamide
CID 126740296
4-[6-[4-(cyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155776171
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 126740093
6-(1-methylpyrazol-4-yl)-4-[5-(4-prop-2-ynoylpiperazin-1-yl)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164754963
4-[6-[4-(2-hydroxy-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
CID 135150193
4-[6-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740053
4-[6-[4-[(3R)-3-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740388

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-acetylpiperazin-1-yl)-5-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-(4-acetylpiperazin-1-yl)-5-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 148500655) is 4-[6-(4-acetylpiperazin-1-yl)-5-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-(4-acetylpiperazin-1-yl)-5-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-(4-acetylpiperazin-1-yl)-5-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(=O)N1CCN(c2ncc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cc2F)CC1.
What is the InChIKey of 4-[6-(4-acetylpiperazin-1-yl)-5-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is MKOTUMCIFHPEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN8O/c1-15(33)30-3-5-31(6-4-30)23-21(24)8-16(10-26-23)20-7-17(19-12-27-29(2)13-19)14-32-22(20)18(9-25)11-28-32/h7-8,10-14H,3-6H2,1-2H3.
What are the key properties of 4-[6-(4-acetylpiperazin-1-yl)-5-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-(4-acetylpiperazin-1-yl)-5-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 444.47 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-acetylpiperazin-1-yl)-5-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 148500655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).