6-[1-[1-(azetidin-3-ylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile

C20H23N7O3S — CID 154950959

IUPAC6-[1-[1-(azetidin-3-ylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1cc(-c2cnn(C3CCN(S(=O)(=O)C4CNC4)CC3)c2)cn2ncc(C#N)c12
InChIInChI=1S/C20H23N7O3S/c1-30-19-6-14(12-27-20(19)15(7-21)8-24-27)16-9-23-26(13-16)17-2-4-25(5-3-17)31(28,29)18-10-22-11-18/h6,8-9,12-13,17-18,22H,2-5,10-11H2,1H3
InChIKeyNZIVFUQLUDMDLQ-UHFFFAOYSA-N
MW441.52 g/mol
LogP1.02
Rot. Bonds5

About 6-[1-[1-(azetidin-3-ylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile

6-[1-[1-(azetidin-3-ylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 154950959) has the molecular formula C20H23N7O3S and a molecular weight of 441.52 g/mol. Its IUPAC name is 6-[1-[1-(azetidin-3-ylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-[1-(azetidin-3-ylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID154950959
Molecular FormulaC20H23N7O3S
Molecular Weight441.52 g/mol
Exact Mass441.16
IUPAC Name6-[1-[1-(azetidin-3-ylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1cc(-c2cnn(C3CCN(S(=O)(=O)C4CNC4)CC3)c2)cn2ncc(C#N)c12
InChIInChI=1S/C20H23N7O3S/c1-30-19-6-14(12-27-20(19)15(7-21)8-24-27)16-9-23-26(13-16)17-2-4-25(5-3-17)31(28,29)18-10-22-11-18/h6,8-9,12-13,17-18,22H,2-5,10-11H2,1H3
InChIKeyNZIVFUQLUDMDLQ-UHFFFAOYSA-N
XLogP1.02
TPSA117.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

tert-butyl (3S)-3-[4-[3-cyano-4-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]pyrrolidine-1-carboxylate
CID 171847795
4-methoxy-6-[5-methyl-1-[1-[(3R)-pyrrolidine-3-carbonyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 154951019
tert-butyl 3-[4-[4-(3-cyano-4-ethoxypyrazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]piperidine-1-carbonyl]azetidine-1-carboxylate
CID 154941627
6-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847295
4-methoxy-6-[5-methyl-1-[1-[(3R)-1-methylpyrrolidin-3-yl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921421
4-methoxy-6-[1-[1-[(3-methoxyazetidin-3-yl)methyl]piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;trihydrochloride
CID 164705096
4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847302
6-[1-[1-(1-cyanopiperidin-4-yl)azetidin-3-yl]-5-methyltriazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920703
4-[6-[1-[(4-methoxyphenyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 167603713
4-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 167567590
4-[5-[3-cyano-6-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 135150155
4-[(4-methyl-3-pyridinyl)sulfanyl]-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848407

Frequently Asked Questions

What is the IUPAC name of 6-[1-[1-(azetidin-3-ylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-[1-(azetidin-3-ylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 154950959) is 6-[1-[1-(azetidin-3-ylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-[1-(azetidin-3-ylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-[1-(azetidin-3-ylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile is COc1cc(-c2cnn(C3CCN(S(=O)(=O)C4CNC4)CC3)c2)cn2ncc(C#N)c12.
What is the InChIKey of 6-[1-[1-(azetidin-3-ylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is NZIVFUQLUDMDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O3S/c1-30-19-6-14(12-27-20(19)15(7-21)8-24-27)16-9-23-26(13-16)17-2-4-25(5-3-17)31(28,29)18-10-22-11-18/h6,8-9,12-13,17-18,22H,2-5,10-11H2,1H3.
What are the key properties of 6-[1-[1-(azetidin-3-ylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[1-[1-(azetidin-3-ylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 441.52 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[1-(azetidin-3-ylsulfonyl)piperidin-4-yl]pyrazol-4-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 154950959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).