2-methyl-2-[4-[3-methyl-8-(1H-pyrazol-4-yl)pyrazolo[4,3-c]quinolin-1-yl]phenyl]propanenitrile

C24H20N6 — CID 71730868

IUPAC2-methyl-2-[4-[3-methyl-8-(1H-pyrazol-4-yl)pyrazolo[4,3-c]quinolin-1-yl]phenyl]propanenitrile
SMILESCc1nn(-c2ccc(C(C)(C)C#N)cc2)c2c1cnc1ccc(-c3cn[nH]c3)cc12
InChIInChI=1S/C24H20N6/c1-15-21-13-26-22-9-4-16(17-11-27-28-12-17)10-20(22)23(21)30(29-15)19-7-5-18(6-8-19)24(2,3)14-25/h4-13H,1-3H3,(H,27,28)
InChIKeyJBCNDNPPMSCNEY-UHFFFAOYSA-N
MW392.47 g/mol
LogP5.07
Rot. Bonds3

About 2-methyl-2-[4-[3-methyl-8-(1H-pyrazol-4-yl)pyrazolo[4,3-c]quinolin-1-yl]phenyl]propanenitrile

2-methyl-2-[4-[3-methyl-8-(1H-pyrazol-4-yl)pyrazolo[4,3-c]quinolin-1-yl]phenyl]propanenitrile (PubChem CID 71730868) has the molecular formula C24H20N6 and a molecular weight of 392.47 g/mol. Its IUPAC name is 2-methyl-2-[4-[3-methyl-8-(1H-pyrazol-4-yl)pyrazolo[4,3-c]quinolin-1-yl]phenyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-[3-methyl-8-(1H-pyrazol-4-yl)pyrazolo[4,3-c]quinolin-1-yl]phenyl]propanenitrile
PubChem CID71730868
Molecular FormulaC24H20N6
Molecular Weight392.47 g/mol
Exact Mass392.17
IUPAC Name2-methyl-2-[4-[3-methyl-8-(1H-pyrazol-4-yl)pyrazolo[4,3-c]quinolin-1-yl]phenyl]propanenitrile
SMILESCc1nn(-c2ccc(C(C)(C)C#N)cc2)c2c1cnc1ccc(-c3cn[nH]c3)cc12
InChIInChI=1S/C24H20N6/c1-15-21-13-26-22-9-4-16(17-11-27-28-12-17)10-20(22)23(21)30(29-15)19-7-5-18(6-8-19)24(2,3)14-25/h4-13H,1-3H3,(H,27,28)
InChIKeyJBCNDNPPMSCNEY-UHFFFAOYSA-N
XLogP5.07
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[3-methyl-8-(1H-pyrazol-4-yl)pyrazolo[4,3-c]quinolin-1-yl]phenyl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-[3-methyl-8-(1H-pyrazol-4-yl)pyrazolo[4,3-c]quinolin-1-yl]phenyl]propanenitrile (CID 71730868) is 2-methyl-2-[4-[3-methyl-8-(1H-pyrazol-4-yl)pyrazolo[4,3-c]quinolin-1-yl]phenyl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-[3-methyl-8-(1H-pyrazol-4-yl)pyrazolo[4,3-c]quinolin-1-yl]phenyl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-[3-methyl-8-(1H-pyrazol-4-yl)pyrazolo[4,3-c]quinolin-1-yl]phenyl]propanenitrile is Cc1nn(-c2ccc(C(C)(C)C#N)cc2)c2c1cnc1ccc(-c3cn[nH]c3)cc12.
What is the InChIKey of 2-methyl-2-[4-[3-methyl-8-(1H-pyrazol-4-yl)pyrazolo[4,3-c]quinolin-1-yl]phenyl]propanenitrile?
The InChIKey is JBCNDNPPMSCNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6/c1-15-21-13-26-22-9-4-16(17-11-27-28-12-17)10-20(22)23(21)30(29-15)19-7-5-18(6-8-19)24(2,3)14-25/h4-13H,1-3H3,(H,27,28).
What are the key properties of 2-methyl-2-[4-[3-methyl-8-(1H-pyrazol-4-yl)pyrazolo[4,3-c]quinolin-1-yl]phenyl]propanenitrile?
2-methyl-2-[4-[3-methyl-8-(1H-pyrazol-4-yl)pyrazolo[4,3-c]quinolin-1-yl]phenyl]propanenitrile has a molecular weight of 392.47 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[3-methyl-8-(1H-pyrazol-4-yl)pyrazolo[4,3-c]quinolin-1-yl]phenyl]propanenitrile is sourced from PubChem (CID 71730868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).