4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C25H23N7OS — CID 171848015

IUPAC4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC[C@@H](O)CN1CC[C@H](n2cc(-c3cc(Sc4ccccc4C#N)c4c(C#N)cnn4c3)cn2)C1
InChIInChI=1S/C25H23N7OS/c1-17(33)13-30-7-6-22(16-30)31-15-21(12-28-31)19-8-24(25-20(10-27)11-29-32(25)14-19)34-23-5-3-2-4-18(23)9-26/h2-5,8,11-12,14-15,17,22,33H,6-7,13,16H2,1H3/t17-,22+/m1/s1
InChIKeyXSBJGQNDOPYIBV-VGSWGCGISA-N
MW469.57 g/mol
LogP3.72
Rot. Bonds6

About 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171848015) has the molecular formula C25H23N7OS and a molecular weight of 469.57 g/mol. Its IUPAC name is 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171848015
Molecular FormulaC25H23N7OS
Molecular Weight469.57 g/mol
Exact Mass469.17
IUPAC Name4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC[C@@H](O)CN1CC[C@H](n2cc(-c3cc(Sc4ccccc4C#N)c4c(C#N)cnn4c3)cn2)C1
InChIInChI=1S/C25H23N7OS/c1-17(33)13-30-7-6-22(16-30)31-15-21(12-28-31)19-8-24(25-20(10-27)11-29-32(25)14-19)34-23-5-3-2-4-18(23)9-26/h2-5,8,11-12,14-15,17,22,33H,6-7,13,16H2,1H3/t17-,22+/m1/s1
InChIKeyXSBJGQNDOPYIBV-VGSWGCGISA-N
XLogP3.72
TPSA106.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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
4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847302
4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-6-oxopiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848297
2-[3-amino-6-[1-[(3S)-6,6-dimethylpiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile
CID 175636580
4-(2-cyanophenyl)sulfanyl-6-[1-(4-hydroxybutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847754
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-(1H-pyrazol-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848125
2-[3-amino-6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile
CID 175637805
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
4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-piperidin-3-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847272
tert-butyl (3S)-3-[4-[3-cyano-4-[(1R)-1-(2,6-dichlorophenyl)ethyl]sulfanylpyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 171848389

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 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) is 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C[C@@H](O)CN1CC[C@H](n2cc(-c3cc(Sc4ccccc4C#N)c4c(C#N)cnn4c3)cn2)C1.
What is the InChIKey of 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is XSBJGQNDOPYIBV-VGSWGCGISA-N. The full InChI is InChI=1S/C25H23N7OS/c1-17(33)13-30-7-6-22(16-30)31-15-21(12-28-31)19-8-24(25-20(10-27)11-29-32(25)14-19)34-23-5-3-2-4-18(23)9-26/h2-5,8,11-12,14-15,17,22,33H,6-7,13,16H2,1H3/t17-,22+/m1/s1.
What are the key properties of 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 469.57 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanophenyl)sulfanyl-6-[1-[(3S)-1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171848015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).