4-(1H-indazol-7-ylsulfanyl)-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C23H20N8S — CID 171848514

IUPAC4-(1H-indazol-7-ylsulfanyl)-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(-c3cnn(C4CCCNC4)c3)cc(Sc3cccc4cn[nH]c34)c12
InChIInChI=1S/C23H20N8S/c24-8-17-10-28-31-13-16(18-11-27-30(14-18)19-4-2-6-25-12-19)7-21(23(17)31)32-20-5-1-3-15-9-26-29-22(15)20/h1,3,5,7,9-11,13-14,19,25H,2,4,6,12H2,(H,26,29)
InChIKeyNCAQGEDXQVLRBL-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.02
Rot. Bonds4

About 4-(1H-indazol-7-ylsulfanyl)-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-(1H-indazol-7-ylsulfanyl)-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171848514) has the molecular formula C23H20N8S and a molecular weight of 440.54 g/mol. Its IUPAC name is 4-(1H-indazol-7-ylsulfanyl)-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(1H-indazol-7-ylsulfanyl)-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171848514
Molecular FormulaC23H20N8S
Molecular Weight440.54 g/mol
Exact Mass440.15
IUPAC Name4-(1H-indazol-7-ylsulfanyl)-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(-c3cnn(C4CCCNC4)c3)cc(Sc3cccc4cn[nH]c34)c12
InChIInChI=1S/C23H20N8S/c24-8-17-10-28-31-13-16(18-11-27-30(14-18)19-4-2-6-25-12-19)7-21(23(17)31)32-20-5-1-3-15-9-26-29-22(15)20/h1,3,5,7,9-11,13-14,19,25H,2,4,6,12H2,(H,26,29)
InChIKeyNCAQGEDXQVLRBL-UHFFFAOYSA-N
XLogP4.02
TPSA99.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847302
4-[(4-methyl-3-pyridinyl)sulfanyl]-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848407
4-[(3-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848157
4-[(1R)-1-(2,6-dichlorophenyl)ethyl]sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847601
4-[(4-fluoro-6-methyl-2-pyridinyl)sulfanyl]-6-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848200
1-[4-[3-cyano-6-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanyl-2,3-difluorophenyl]-4-(2,6-difluorophenyl)sulfanyl-6-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-1-ium-3-carbonitrile
CID 171847433
4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-piperidin-3-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847272
4-[(1R)-1-(2-chloro-6-methylphenyl)ethyl]sulfanyl-6-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847986
4-[(E)-1-[(Z)-ethylideneamino]-2-(methylideneamino)ethenyl]sulfanyl-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848491
4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-6-oxopiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848297
6-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847295
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

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-7-ylsulfanyl)-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-(1H-indazol-7-ylsulfanyl)-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171848514) is 4-(1H-indazol-7-ylsulfanyl)-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(1H-indazol-7-ylsulfanyl)-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-(1H-indazol-7-ylsulfanyl)-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(-c3cnn(C4CCCNC4)c3)cc(Sc3cccc4cn[nH]c34)c12.
What is the InChIKey of 4-(1H-indazol-7-ylsulfanyl)-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is NCAQGEDXQVLRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8S/c24-8-17-10-28-31-13-16(18-11-27-30(14-18)19-4-2-6-25-12-19)7-21(23(17)31)32-20-5-1-3-15-9-26-29-22(15)20/h1,3,5,7,9-11,13-14,19,25H,2,4,6,12H2,(H,26,29).
What are the key properties of 4-(1H-indazol-7-ylsulfanyl)-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-(1H-indazol-7-ylsulfanyl)-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 440.54 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-7-ylsulfanyl)-6-(1-piperidin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171848514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).