2-amino-4-(2-phenylpyrazol-3-yl)-6-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride

C20H21ClN6 — CID 171713187

IUPAC2-amino-4-(2-phenylpyrazol-3-yl)-6-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1c(-c2ccnn2-c2ccccc2)cc(C2CCCNC2)nc1N
InChIInChI=1S/C20H20N6.ClH/c21-12-17-16(11-18(25-20(17)22)14-5-4-9-23-13-14)19-8-10-24-26(19)15-6-2-1-3-7-15;/h1-3,6-8,10-11,14,23H,4-5,9,13H2,(H2,22,25);1H
InChIKeyDGFJUOWHNNSZPP-UHFFFAOYSA-N
MW380.88 g/mol
LogP3.28
Rot. Bonds3

About 2-amino-4-(2-phenylpyrazol-3-yl)-6-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride

2-amino-4-(2-phenylpyrazol-3-yl)-6-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride (PubChem CID 171713187) has the molecular formula C20H21ClN6 and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-amino-4-(2-phenylpyrazol-3-yl)-6-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-amino-4-(2-phenylpyrazol-3-yl)-6-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride
PubChem CID171713187
Molecular FormulaC20H21ClN6
Molecular Weight380.88 g/mol
Exact Mass380.15
IUPAC Name2-amino-4-(2-phenylpyrazol-3-yl)-6-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1c(-c2ccnn2-c2ccccc2)cc(C2CCCNC2)nc1N
InChIInChI=1S/C20H20N6.ClH/c21-12-17-16(11-18(25-20(17)22)14-5-4-9-23-13-14)19-8-10-24-26(19)15-6-2-1-3-7-15;/h1-3,6-8,10-11,14,23H,4-5,9,13H2,(H2,22,25);1H
InChIKeyDGFJUOWHNNSZPP-UHFFFAOYSA-N
XLogP3.28
TPSA92.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride
CID 135550626
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)phenol;hydrochloride
CID 142686981
2-amino-5-fluoro-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile
CID 135550601
3-[4-(4-methylphenyl)-1-phenylpyrazol-5-yl]piperidine
CID 115053824
4-amino-2-(5-fluoro-2-hydroxyphenyl)-6-piperidin-3-ylpyrimidine-5-carbonitrile
CID 143039304
4-amino-2-(5-chloro-2-hydroxyphenyl)-6-piperidin-3-ylpyrimidine-5-carbonitrile
CID 135487496
2-amino-6-(2-phenylethyl)-4-piperidin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 56912527
3-(4-fluoro-6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyridine
CID 175682038
3-(2-benzylpyrazol-3-yl)piperidine
CID 83392632
7-methylsulfanyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine
CID 160529095
4-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)phenol;hydrochloride
CID 142686971
2-amino-6-(1,3-benzodioxol-5-yl)-4-[(3S)-piperidin-3-yl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 95723212

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-phenylpyrazol-3-yl)-6-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride?
The IUPAC name of 2-amino-4-(2-phenylpyrazol-3-yl)-6-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride (CID 171713187) is 2-amino-4-(2-phenylpyrazol-3-yl)-6-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 2-amino-4-(2-phenylpyrazol-3-yl)-6-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride?
The canonical SMILES for 2-amino-4-(2-phenylpyrazol-3-yl)-6-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride is Cl.N#Cc1c(-c2ccnn2-c2ccccc2)cc(C2CCCNC2)nc1N.
What is the InChIKey of 2-amino-4-(2-phenylpyrazol-3-yl)-6-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride?
The InChIKey is DGFJUOWHNNSZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6.ClH/c21-12-17-16(11-18(25-20(17)22)14-5-4-9-23-13-14)19-8-10-24-26(19)15-6-2-1-3-7-15;/h1-3,6-8,10-11,14,23H,4-5,9,13H2,(H2,22,25);1H.
What are the key properties of 2-amino-4-(2-phenylpyrazol-3-yl)-6-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride?
2-amino-4-(2-phenylpyrazol-3-yl)-6-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride has a molecular weight of 380.88 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-phenylpyrazol-3-yl)-6-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 171713187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).