4-(2,3-dihydro-1H-inden-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile;hydrochloride

C21H24ClN5 — CID 135583983

IUPAC4-(2,3-dihydro-1H-inden-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile;hydrochloride
SMILESCl.N#CC1=C(C2CCNCC2)Nc2[nH]ncc2C1c1cccc2c1CCC2
InChIInChI=1S/C21H23N5.ClH/c22-11-17-19(16-6-2-4-13-3-1-5-15(13)16)18-12-24-26-21(18)25-20(17)14-7-9-23-10-8-14;/h2,4,6,12,14,19,23H,1,3,5,7-10H2,(H2,24,25,26);1H
InChIKeyNRUYWZNOCMOTRI-UHFFFAOYSA-N
MW381.91 g/mol
LogP3.65
Rot. Bonds2

About 4-(2,3-dihydro-1H-inden-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile;hydrochloride

4-(2,3-dihydro-1H-inden-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile;hydrochloride (PubChem CID 135583983) has the molecular formula C21H24ClN5 and a molecular weight of 381.91 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile;hydrochloride
PubChem CID135583983
Molecular FormulaC21H24ClN5
Molecular Weight381.91 g/mol
Exact Mass381.17
IUPAC Name4-(2,3-dihydro-1H-inden-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile;hydrochloride
SMILESCl.N#CC1=C(C2CCNCC2)Nc2[nH]ncc2C1c1cccc2c1CCC2
InChIInChI=1S/C21H23N5.ClH/c22-11-17-19(16-6-2-4-13-3-1-5-15(13)16)18-12-24-26-21(18)25-20(17)14-7-9-23-10-8-14;/h2,4,6,12,14,19,23H,1,3,5,7-10H2,(H2,24,25,26);1H
InChIKeyNRUYWZNOCMOTRI-UHFFFAOYSA-N
XLogP3.65
TPSA76.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,1,3-benzothiadiazol-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135583824
4-(2,6-difluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135584064
4-(2-nitrophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135583777
4-(2-bromo-3-cyanophenyl)-6-cyclobutyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135584034
4-(2-chlorophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135584162
4-(3,4-dihydro-2H-chromen-8-yl)-5-isocyano-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 135617673
2-bromo-3-(6-cyclopentyl-5-isocyano-4,7-dihydro-1H-pyrazolo[5,4-b]pyridin-4-yl)benzonitrile
CID 135617519
4-(2-bromo-3-cyanophenyl)-6-(1,2,3,4-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135583853
4-(2-bromo-3-cyanophenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135583996
4-(2-bromo-3-cyanophenyl)-6-[(1R,4S,6R)-2-methyl-2-azabicyclo[2.2.2]octan-6-yl]-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135970893
4-(2-bromophenyl)-6-ethyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135583990
4-(2-nitrophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135584009

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile;hydrochloride?
The IUPAC name of 4-(2,3-dihydro-1H-inden-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile;hydrochloride (CID 135583983) is 4-(2,3-dihydro-1H-inden-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile;hydrochloride.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile;hydrochloride?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile;hydrochloride is Cl.N#CC1=C(C2CCNCC2)Nc2[nH]ncc2C1c1cccc2c1CCC2.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile;hydrochloride?
The InChIKey is NRUYWZNOCMOTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5.ClH/c22-11-17-19(16-6-2-4-13-3-1-5-15(13)16)18-12-24-26-21(18)25-20(17)14-7-9-23-10-8-14;/h2,4,6,12,14,19,23H,1,3,5,7-10H2,(H2,24,25,26);1H.
What are the key properties of 4-(2,3-dihydro-1H-inden-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile;hydrochloride?
4-(2,3-dihydro-1H-inden-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile;hydrochloride has a molecular weight of 381.91 g/mol, XLogP of 3.65, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-4-yl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile;hydrochloride is sourced from PubChem (CID 135583983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).