6-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile

C25H21N7OS — CID 171847295

IUPAC6-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(=O)N1CCC(n2cc(-c3cc(Sc4ccccc4C#N)c4c(C#N)cnn4c3)cn2)CC1
InChIInChI=1S/C25H21N7OS/c1-17(33)30-8-6-22(7-9-30)31-16-21(14-28-31)19-10-24(25-20(12-27)13-29-32(25)15-19)34-23-5-3-2-4-18(23)11-26/h2-5,10,13-16,22H,6-9H2,1H3
InChIKeyXBKBDMCHGZQZFK-UHFFFAOYSA-N
MW467.56 g/mol
LogP4.28
Rot. Bonds4

About 6-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile

6-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171847295) has the molecular formula C25H21N7OS and a molecular weight of 467.56 g/mol. Its IUPAC name is 6-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171847295
Molecular FormulaC25H21N7OS
Molecular Weight467.56 g/mol
Exact Mass467.15
IUPAC Name6-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(=O)N1CCC(n2cc(-c3cc(Sc4ccccc4C#N)c4c(C#N)cnn4c3)cn2)CC1
InChIInChI=1S/C25H21N7OS/c1-17(33)30-8-6-22(7-9-30)31-16-21(14-28-31)19-10-24(25-20(12-27)13-29-32(25)15-19)34-23-5-3-2-4-18(23)11-26/h2-5,10,13-16,22H,6-9H2,1H3
InChIKeyXBKBDMCHGZQZFK-UHFFFAOYSA-N
XLogP4.28
TPSA103.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.56
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848282
4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848015
4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-6-oxopiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848297
4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847302
4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-[(3S)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848074
4-(2-cyanophenyl)sulfanyl-6-[1-(4-hydroxybutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847754
2-[3-amino-6-[1-[(3S)-6,6-dimethylpiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile
CID 175636580
tert-butyl (3S)-3-[4-[4-[(3-chloro-2-pyridinyl)sulfanyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 171848340
6-[1-(1-acetylpiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847897
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
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-(2-cyanophenyl)sulfanyl-6-[1-(1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848125

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171847295) is 6-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile is CC(=O)N1CCC(n2cc(-c3cc(Sc4ccccc4C#N)c4c(C#N)cnn4c3)cn2)CC1.
What is the InChIKey of 6-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is XBKBDMCHGZQZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7OS/c1-17(33)30-8-6-22(7-9-30)31-16-21(14-28-31)19-10-24(25-20(12-27)13-29-32(25)15-19)34-23-5-3-2-4-18(23)11-26/h2-5,10,13-16,22H,6-9H2,1H3.
What are the key properties of 6-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 467.56 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171847295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).