4-[5-(4-methylphenyl)-1-(piperidin-4-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]benzonitrile

C26H25N5 — CID 121283073

IUPAC4-[5-(4-methylphenyl)-1-(piperidin-4-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]benzonitrile
SMILESCc1ccc(-c2nc3cnn(CC4CCNCC4)c3cc2-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C26H25N5/c1-18-2-6-22(7-3-18)26-23(21-8-4-19(15-27)5-9-21)14-25-24(30-26)16-29-31(25)17-20-10-12-28-13-11-20/h2-9,14,16,20,28H,10-13,17H2,1H3
InChIKeyRDVQGHFWHZHVID-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.95
Rot. Bonds4

About 4-[5-(4-methylphenyl)-1-(piperidin-4-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]benzonitrile

4-[5-(4-methylphenyl)-1-(piperidin-4-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]benzonitrile (PubChem CID 121283073) has the molecular formula C26H25N5 and a molecular weight of 407.52 g/mol. Its IUPAC name is 4-[5-(4-methylphenyl)-1-(piperidin-4-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(4-methylphenyl)-1-(piperidin-4-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]benzonitrile
PubChem CID121283073
Molecular FormulaC26H25N5
Molecular Weight407.52 g/mol
Exact Mass407.21
IUPAC Name4-[5-(4-methylphenyl)-1-(piperidin-4-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]benzonitrile
SMILESCc1ccc(-c2nc3cnn(CC4CCNCC4)c3cc2-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C26H25N5/c1-18-2-6-22(7-3-18)26-23(21-8-4-19(15-27)5-9-21)14-25-24(30-26)16-29-31(25)17-20-10-12-28-13-11-20/h2-9,14,16,20,28H,10-13,17H2,1H3
InChIKeyRDVQGHFWHZHVID-UHFFFAOYSA-N
XLogP4.95
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-ethoxy-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]benzonitrile
CID 121289754
tert-butyl (1S,5R)-6-[[6-(4-cyanophenyl)-5-(4-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 118152131
4-[5-(4-methylphenyl)-2-(piperidin-4-ylmethyl)pyrimidin-4-yl]benzonitrile
CID 147805770
4-[5-(4-methylphenyl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]benzonitrile
CID 118152103
4-[1-[(2R)-2-but-3-enoxypentyl]-5-(4-methylphenyl)pyrazolo[4,5-b]pyridin-6-yl]benzonitrile;molecular hydrogen
CID 145029408
4-[5-(4-methylphenyl)-1-[[(2R)-oxocan-2-yl]methyl]pyrrolo[3,2-b]pyridin-6-yl]benzonitrile
CID 167185405
4-[1-butyl-5-(4-methylphenyl)pyrrolo[3,2-b]pyridin-6-yl]benzonitrile
CID 118152078
4-[5-(4-methylphenyl)-7-(pyrrolidin-3-ylmethyl)-1H-pyrazolo[4,5-b]pyridin-6-yl]benzonitrile
CID 118917239
4-[6-methanimidoyl-2-(4-methylphenyl)-5-(piperidin-4-ylamino)-3-pyridinyl]benzonitrile
CID 167185315
4-methyl-1-(piperidin-4-ylmethyl)indazole
CID 84692855
4-[5-(1-methylindazol-5-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 142474822
5-(6-fluoro-1H-indol-3-yl)-1-(piperidin-4-ylmethyl)indazole
CID 118382679

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methylphenyl)-1-(piperidin-4-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]benzonitrile?
The IUPAC name of 4-[5-(4-methylphenyl)-1-(piperidin-4-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]benzonitrile (CID 121283073) is 4-[5-(4-methylphenyl)-1-(piperidin-4-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 4-[5-(4-methylphenyl)-1-(piperidin-4-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]benzonitrile?
The canonical SMILES for 4-[5-(4-methylphenyl)-1-(piperidin-4-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]benzonitrile is Cc1ccc(-c2nc3cnn(CC4CCNCC4)c3cc2-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[5-(4-methylphenyl)-1-(piperidin-4-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]benzonitrile?
The InChIKey is RDVQGHFWHZHVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5/c1-18-2-6-22(7-3-18)26-23(21-8-4-19(15-27)5-9-21)14-25-24(30-26)16-29-31(25)17-20-10-12-28-13-11-20/h2-9,14,16,20,28H,10-13,17H2,1H3.
What are the key properties of 4-[5-(4-methylphenyl)-1-(piperidin-4-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]benzonitrile?
4-[5-(4-methylphenyl)-1-(piperidin-4-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]benzonitrile has a molecular weight of 407.52 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylphenyl)-1-(piperidin-4-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 121283073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).