4-[1-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]-2,3-dimethylbenzonitrile

C25H26N6O2 — CID 172707077

IUPAC4-[1-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]-2,3-dimethylbenzonitrile
SMILESCc1c(C#N)ccc(-c2nn(-c3ccc(C(=O)N4CCN(C5CC5)CC4)cn3)cc2O)c1C
InChIInChI=1S/C25H26N6O2/c1-16-17(2)21(7-3-18(16)13-26)24-22(32)15-31(28-24)23-8-4-19(14-27-23)25(33)30-11-9-29(10-12-30)20-5-6-20/h3-4,7-8,14-15,20,32H,5-6,9-12H2,1-2H3
InChIKeyDSRWQPNLNFDAEZ-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.05
Rot. Bonds4

About 4-[1-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]-2,3-dimethylbenzonitrile

4-[1-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]-2,3-dimethylbenzonitrile (PubChem CID 172707077) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 4-[1-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]-2,3-dimethylbenzonitrile.

Molecular Properties

Compound Name4-[1-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]-2,3-dimethylbenzonitrile
PubChem CID172707077
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name4-[1-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]-2,3-dimethylbenzonitrile
SMILESCc1c(C#N)ccc(-c2nn(-c3ccc(C(=O)N4CCN(C5CC5)CC4)cn3)cc2O)c1C
InChIInChI=1S/C25H26N6O2/c1-16-17(2)21(7-3-18(16)13-26)24-22(32)15-31(28-24)23-8-4-19(14-27-23)25(33)30-11-9-29(10-12-30)20-5-6-20/h3-4,7-8,14-15,20,32H,5-6,9-12H2,1-2H3
InChIKeyDSRWQPNLNFDAEZ-UHFFFAOYSA-N
XLogP3.05
TPSA98.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[1-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]-2,3-dimethylbenzonitrile with MolForge

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Related Compounds

4-[1-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-pyridinyl]-5-oxo-4H-pyrazol-4-yl]-2-fluoro-5-methylbenzonitrile
CID 86300649
4-[[1-[5-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]methyl]benzonitrile
CID 172861719
(6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 61052707
(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
CID 62177305
(4-cyclohexyl-1,4-diazepan-1-yl)-[6-(methylamino)-3-pyridinyl]methanone
CID 28954139
(4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone
CID 53149742
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56739291
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 58826231
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 60505849
[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 787175
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56758492
[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
CID 162670595

Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]-2,3-dimethylbenzonitrile?
The IUPAC name of 4-[1-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]-2,3-dimethylbenzonitrile (CID 172707077) is 4-[1-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]-2,3-dimethylbenzonitrile.
What is the SMILES notation for 4-[1-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]-2,3-dimethylbenzonitrile?
The canonical SMILES for 4-[1-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]-2,3-dimethylbenzonitrile is Cc1c(C#N)ccc(-c2nn(-c3ccc(C(=O)N4CCN(C5CC5)CC4)cn3)cc2O)c1C.
What is the InChIKey of 4-[1-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]-2,3-dimethylbenzonitrile?
The InChIKey is DSRWQPNLNFDAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-16-17(2)21(7-3-18(16)13-26)24-22(32)15-31(28-24)23-8-4-19(14-27-23)25(33)30-11-9-29(10-12-30)20-5-6-20/h3-4,7-8,14-15,20,32H,5-6,9-12H2,1-2H3.
What are the key properties of 4-[1-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]-2,3-dimethylbenzonitrile?
4-[1-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]-2,3-dimethylbenzonitrile has a molecular weight of 442.52 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]-2,3-dimethylbenzonitrile is sourced from PubChem (CID 172707077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).