4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile

C24H23N5 — CID 135249546

IUPAC4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile
SMILESCn1cc(-c2ccc(-c3cnn4cccc(C5CCC(C#N)CC5)c34)cc2)cn1
InChIInChI=1S/C24H23N5/c1-28-16-21(14-26-28)18-8-10-20(11-9-18)23-15-27-29-12-2-3-22(24(23)29)19-6-4-17(13-25)5-7-19/h2-3,8-12,14-17,19H,4-7H2,1H3
InChIKeyBZFKBNCATHJBSS-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.20
Rot. Bonds3

About 4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile

4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile (PubChem CID 135249546) has the molecular formula C24H23N5 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile
PubChem CID135249546
Molecular FormulaC24H23N5
Molecular Weight381.48 g/mol
Exact Mass381.20
IUPAC Name4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile
SMILESCn1cc(-c2ccc(-c3cnn4cccc(C5CCC(C#N)CC5)c34)cc2)cn1
InChIInChI=1S/C24H23N5/c1-28-16-21(14-26-28)18-8-10-20(11-9-18)23-15-27-29-12-2-3-22(24(23)29)19-6-4-17(13-25)5-7-19/h2-3,8-12,14-17,19H,4-7H2,1H3
InChIKeyBZFKBNCATHJBSS-UHFFFAOYSA-N
XLogP5.20
TPSA58.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile
CID 135260493
4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carboxamide
CID 135249254
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
CID 135249334
6-cyclopropyl-1-methyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline
CID 118665751
4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
CID 135249299
4-[3-[4-(1-ethylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-methylbut-3-yn-2-ol
CID 135250020
methyl 4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylbenzoate
CID 135249341
4-[3-[4-[1-(3-cyanopropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide
CID 135250361
7-cyclopropyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 121372752
3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine
CID 140891404
3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 175889018

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile (CID 135249546) is 4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile is Cn1cc(-c2ccc(-c3cnn4cccc(C5CCC(C#N)CC5)c34)cc2)cn1.
What is the InChIKey of 4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile?
The InChIKey is BZFKBNCATHJBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5/c1-28-16-21(14-26-28)18-8-10-20(11-9-18)23-15-27-29-12-2-3-22(24(23)29)19-6-4-17(13-25)5-7-19/h2-3,8-12,14-17,19H,4-7H2,1H3.
What are the key properties of 4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile?
4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile has a molecular weight of 381.48 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 135249546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).