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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Related Compounds

Benzo[c]-2,6-naphthyridin-5-amine, N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)-
CID 44222958
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152
N-(4-chlorophenyl)-4-(pyrimidin-4-ylmethyl)phthalazin-1-amine
CID 6326418
4-(1-Cyclohexyl-ethylamino)-1-ethyl-1H-pyrazolo[3,4-b]quinoline-6-carbonitrile
CID 44264943
1-(4-Piperidylmethyl)-3-(3-quinolyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 68263732
N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine
CID 138857395
N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)quinolin-6-amine
CID 24882115
N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)quinolin-3-amine
CID 24882198
3-(2-chlorophenyl)-2,5-dimethyl-N-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16449863
2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine
CID 9814443
N-(5-methyl-1H-pyrazol-3-yl)-2-(pyridin-4-yl)quinazolin-4-amine
CID 9901007
[2-(3-chlorophenylamino)-quinazolin-4-yl]-(5-methyl-2H-pyrazol-3-yl)-amine
CID 9924567

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).