7-chloro-5-(2-cyclopropyl-3-pyridinyl)-2-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile

C20H14ClN5O — CID 172525129

IUPAC7-chloro-5-(2-cyclopropyl-3-pyridinyl)-2-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile
SMILESCn1cc2c(n1)c(=O)n(-c1cccnc1C1CC1)c1cc(Cl)c(C#N)cc21
InChIInChI=1S/C20H14ClN5O/c1-25-10-14-13-7-12(9-22)15(21)8-17(13)26(20(27)19(14)24-25)16-3-2-6-23-18(16)11-4-5-11/h2-3,6-8,10-11H,4-5H2,1H3
InChIKeyHIAPTXCWOHSASE-UHFFFAOYSA-N
MW375.82 g/mol
LogP3.67
Rot. Bonds2

About 7-chloro-5-(2-cyclopropyl-3-pyridinyl)-2-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile

7-chloro-5-(2-cyclopropyl-3-pyridinyl)-2-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile (PubChem CID 172525129) has the molecular formula C20H14ClN5O and a molecular weight of 375.82 g/mol. Its IUPAC name is 7-chloro-5-(2-cyclopropyl-3-pyridinyl)-2-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name7-chloro-5-(2-cyclopropyl-3-pyridinyl)-2-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile
PubChem CID172525129
Molecular FormulaC20H14ClN5O
Molecular Weight375.82 g/mol
Exact Mass375.09
IUPAC Name7-chloro-5-(2-cyclopropyl-3-pyridinyl)-2-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile
SMILESCn1cc2c(n1)c(=O)n(-c1cccnc1C1CC1)c1cc(Cl)c(C#N)cc21
InChIInChI=1S/C20H14ClN5O/c1-25-10-14-13-7-12(9-22)15(21)8-17(13)26(20(27)19(14)24-25)16-3-2-6-23-18(16)11-4-5-11/h2-3,6-8,10-11H,4-5H2,1H3
InChIKeyHIAPTXCWOHSASE-UHFFFAOYSA-N
XLogP3.67
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-chloro-5-(2-cyclopropyl-3-pyridinyl)-2-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-cyclopropyl-3-pyridinyl)-2-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile?
The IUPAC name of 7-chloro-5-(2-cyclopropyl-3-pyridinyl)-2-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile (CID 172525129) is 7-chloro-5-(2-cyclopropyl-3-pyridinyl)-2-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile.
What is the SMILES notation for 7-chloro-5-(2-cyclopropyl-3-pyridinyl)-2-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile?
The canonical SMILES for 7-chloro-5-(2-cyclopropyl-3-pyridinyl)-2-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile is Cn1cc2c(n1)c(=O)n(-c1cccnc1C1CC1)c1cc(Cl)c(C#N)cc21.
What is the InChIKey of 7-chloro-5-(2-cyclopropyl-3-pyridinyl)-2-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile?
The InChIKey is HIAPTXCWOHSASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN5O/c1-25-10-14-13-7-12(9-22)15(21)8-17(13)26(20(27)19(14)24-25)16-3-2-6-23-18(16)11-4-5-11/h2-3,6-8,10-11H,4-5H2,1H3.
What are the key properties of 7-chloro-5-(2-cyclopropyl-3-pyridinyl)-2-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile?
7-chloro-5-(2-cyclopropyl-3-pyridinyl)-2-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile has a molecular weight of 375.82 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-cyclopropyl-3-pyridinyl)-2-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile is sourced from PubChem (CID 172525129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).