5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile

C18H12ClN7 — CID 108779168

IUPAC5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile
SMILESCc1nc(Cl)cc(Nc2c(C#N)cnn2-c2ccc3ccccc3n2)n1
InChIInChI=1S/C18H12ClN7/c1-11-22-15(19)8-16(23-11)25-18-13(9-20)10-21-26(18)17-7-6-12-4-2-3-5-14(12)24-17/h2-8,10H,1H3,(H,22,23,25)
InChIKeyRQDMOWOEUPLEBR-UHFFFAOYSA-N
MW361.80 g/mol
LogP3.79
Rot. Bonds3

About 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile

5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile (PubChem CID 108779168) has the molecular formula C18H12ClN7 and a molecular weight of 361.80 g/mol. Its IUPAC name is 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile
PubChem CID108779168
Molecular FormulaC18H12ClN7
Molecular Weight361.80 g/mol
Exact Mass361.08
IUPAC Name5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile
SMILESCc1nc(Cl)cc(Nc2c(C#N)cnn2-c2ccc3ccccc3n2)n1
InChIInChI=1S/C18H12ClN7/c1-11-22-15(19)8-16(23-11)25-18-13(9-20)10-21-26(18)17-7-6-12-4-2-3-5-14(12)24-17/h2-8,10H,1H3,(H,22,23,25)
InChIKeyRQDMOWOEUPLEBR-UHFFFAOYSA-N
XLogP3.79
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile (CID 108779168) is 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile is Cc1nc(Cl)cc(Nc2c(C#N)cnn2-c2ccc3ccccc3n2)n1.
What is the InChIKey of 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile?
The InChIKey is RQDMOWOEUPLEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN7/c1-11-22-15(19)8-16(23-11)25-18-13(9-20)10-21-26(18)17-7-6-12-4-2-3-5-14(12)24-17/h2-8,10H,1H3,(H,22,23,25).
What are the key properties of 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile?
5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile has a molecular weight of 361.80 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 108779168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).