2-[4-[5-(4-methylphenyl)-1-quinolin-2-ylpyrazole-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile

C30H25N7O — CID 118715570

IUPAC2-[4-[5-(4-methylphenyl)-1-quinolin-2-ylpyrazole-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(C(=O)N3CCN(c4ncccc4C#N)CC3)nn2-c2ccc3ccccc3n2)cc1
InChIInChI=1S/C30H25N7O/c1-21-8-10-23(11-9-21)27-19-26(34-37(27)28-13-12-22-5-2-3-7-25(22)33-28)30(38)36-17-15-35(16-18-36)29-24(20-31)6-4-14-32-29/h2-14,19H,15-18H2,1H3
InChIKeySVGNQPMKAMODDE-UHFFFAOYSA-N
MW499.58 g/mol
LogP4.62
Rot. Bonds4

About 2-[4-[5-(4-methylphenyl)-1-quinolin-2-ylpyrazole-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile

2-[4-[5-(4-methylphenyl)-1-quinolin-2-ylpyrazole-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 118715570) has the molecular formula C30H25N7O and a molecular weight of 499.58 g/mol. Its IUPAC name is 2-[4-[5-(4-methylphenyl)-1-quinolin-2-ylpyrazole-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[5-(4-methylphenyl)-1-quinolin-2-ylpyrazole-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID118715570
Molecular FormulaC30H25N7O
Molecular Weight499.58 g/mol
Exact Mass499.21
IUPAC Name2-[4-[5-(4-methylphenyl)-1-quinolin-2-ylpyrazole-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(C(=O)N3CCN(c4ncccc4C#N)CC3)nn2-c2ccc3ccccc3n2)cc1
InChIInChI=1S/C30H25N7O/c1-21-8-10-23(11-9-21)27-19-26(34-37(27)28-13-12-22-5-2-3-7-25(22)33-28)30(38)36-17-15-35(16-18-36)29-24(20-31)6-4-14-32-29/h2-14,19H,15-18H2,1H3
InChIKeySVGNQPMKAMODDE-UHFFFAOYSA-N
XLogP4.62
TPSA90.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.58
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-methylphenyl)-1-quinolin-2-ylpyrazole-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[5-(4-methylphenyl)-1-quinolin-2-ylpyrazole-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 118715570) is 2-[4-[5-(4-methylphenyl)-1-quinolin-2-ylpyrazole-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[5-(4-methylphenyl)-1-quinolin-2-ylpyrazole-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[5-(4-methylphenyl)-1-quinolin-2-ylpyrazole-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile is Cc1ccc(-c2cc(C(=O)N3CCN(c4ncccc4C#N)CC3)nn2-c2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[4-[5-(4-methylphenyl)-1-quinolin-2-ylpyrazole-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is SVGNQPMKAMODDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N7O/c1-21-8-10-23(11-9-21)27-19-26(34-37(27)28-13-12-22-5-2-3-7-25(22)33-28)30(38)36-17-15-35(16-18-36)29-24(20-31)6-4-14-32-29/h2-14,19H,15-18H2,1H3.
What are the key properties of 2-[4-[5-(4-methylphenyl)-1-quinolin-2-ylpyrazole-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-[5-(4-methylphenyl)-1-quinolin-2-ylpyrazole-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 499.58 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-methylphenyl)-1-quinolin-2-ylpyrazole-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 118715570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).