5-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-(8-methoxy-4-methylquinolin-2-yl)pyrazole-4-carbonitrile

C20H16ClN7O — CID 108779302

IUPAC5-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-(8-methoxy-4-methylquinolin-2-yl)pyrazole-4-carbonitrile
SMILESCOc1cccc2c(C)cc(-n3ncc(C#N)c3Nc3cc(C)nc(Cl)n3)nc12
InChIInChI=1S/C20H16ClN7O/c1-11-7-17(27-18-14(11)5-4-6-15(18)29-3)28-19(13(9-22)10-23-28)25-16-8-12(2)24-20(21)26-16/h4-8,10H,1-3H3,(H,24,25,26)
InChIKeyHDPXNMCDZKOFSR-UHFFFAOYSA-N
MW405.85 g/mol
LogP4.10
Rot. Bonds4

About 5-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-(8-methoxy-4-methylquinolin-2-yl)pyrazole-4-carbonitrile

5-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-(8-methoxy-4-methylquinolin-2-yl)pyrazole-4-carbonitrile (PubChem CID 108779302) has the molecular formula C20H16ClN7O and a molecular weight of 405.85 g/mol. Its IUPAC name is 5-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-(8-methoxy-4-methylquinolin-2-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-(8-methoxy-4-methylquinolin-2-yl)pyrazole-4-carbonitrile
PubChem CID108779302
Molecular FormulaC20H16ClN7O
Molecular Weight405.85 g/mol
Exact Mass405.11
IUPAC Name5-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-(8-methoxy-4-methylquinolin-2-yl)pyrazole-4-carbonitrile
SMILESCOc1cccc2c(C)cc(-n3ncc(C#N)c3Nc3cc(C)nc(Cl)n3)nc12
InChIInChI=1S/C20H16ClN7O/c1-11-7-17(27-18-14(11)5-4-6-15(18)29-3)28-19(13(9-22)10-23-28)25-16-8-12(2)24-20(21)26-16/h4-8,10H,1-3H3,(H,24,25,26)
InChIKeyHDPXNMCDZKOFSR-UHFFFAOYSA-N
XLogP4.10
TPSA101.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.85
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carbonitrile
CID 108778840
5-[(6-chloro-5-nitropyrimidin-4-yl)amino]-1-(8-methoxy-4-methylquinolin-2-yl)pyrazole-4-carbonitrile
CID 108779323
2-chloroethyl N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]carbamate
CID 108747474
5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-1-(4,8-dimethylquinolin-2-yl)pyrazole-4-carbonitrile
CID 108779233
4-chloro-N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-3-nitrobenzenesulfonamide
CID 108784044
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108747495
N-[4-[[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]sulfamoyl]phenyl]acetamide
CID 108784040
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108747482
5-[(3-chloroquinoxalin-2-yl)amino]-1-(4,8-dimethylquinolin-2-yl)pyrazole-4-carbonitrile
CID 108779236
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 108769565
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-2-methyl-3,5-dinitrobenzamide
CID 108747463
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 108747519

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-(8-methoxy-4-methylquinolin-2-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-(8-methoxy-4-methylquinolin-2-yl)pyrazole-4-carbonitrile (CID 108779302) is 5-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-(8-methoxy-4-methylquinolin-2-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-(8-methoxy-4-methylquinolin-2-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-(8-methoxy-4-methylquinolin-2-yl)pyrazole-4-carbonitrile is COc1cccc2c(C)cc(-n3ncc(C#N)c3Nc3cc(C)nc(Cl)n3)nc12.
What is the InChIKey of 5-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-(8-methoxy-4-methylquinolin-2-yl)pyrazole-4-carbonitrile?
The InChIKey is HDPXNMCDZKOFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN7O/c1-11-7-17(27-18-14(11)5-4-6-15(18)29-3)28-19(13(9-22)10-23-28)25-16-8-12(2)24-20(21)26-16/h4-8,10H,1-3H3,(H,24,25,26).
What are the key properties of 5-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-(8-methoxy-4-methylquinolin-2-yl)pyrazole-4-carbonitrile?
5-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-(8-methoxy-4-methylquinolin-2-yl)pyrazole-4-carbonitrile has a molecular weight of 405.85 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-(8-methoxy-4-methylquinolin-2-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 108779302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).