6-(3-methoxycinnolin-7-yl)-2-methyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-3-carbonitrile

C24H19F3N6O — CID 151796981

IUPAC6-(3-methoxycinnolin-7-yl)-2-methyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-3-carbonitrile
SMILESCOc1cc2ccc(-c3nc(C)c(C#N)cc3-c3cnn(CC4(C(F)(F)F)CC4)c3)cc2nn1
InChIInChI=1S/C24H19F3N6O/c1-14-17(10-28)7-19(18-11-29-33(12-18)13-23(5-6-23)24(25,26)27)22(30-14)16-4-3-15-9-21(34-2)32-31-20(15)8-16/h3-4,7-9,11-12H,5-6,13H2,1-2H3
InChIKeyRXUOMUMSNAIUMZ-UHFFFAOYSA-N
MW464.45 g/mol
LogP5.09
Rot. Bonds5

About 6-(3-methoxycinnolin-7-yl)-2-methyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-3-carbonitrile

6-(3-methoxycinnolin-7-yl)-2-methyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-3-carbonitrile (PubChem CID 151796981) has the molecular formula C24H19F3N6O and a molecular weight of 464.45 g/mol. Its IUPAC name is 6-(3-methoxycinnolin-7-yl)-2-methyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-methoxycinnolin-7-yl)-2-methyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-3-carbonitrile
PubChem CID151796981
Molecular FormulaC24H19F3N6O
Molecular Weight464.45 g/mol
Exact Mass464.16
IUPAC Name6-(3-methoxycinnolin-7-yl)-2-methyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-3-carbonitrile
SMILESCOc1cc2ccc(-c3nc(C)c(C#N)cc3-c3cnn(CC4(C(F)(F)F)CC4)c3)cc2nn1
InChIInChI=1S/C24H19F3N6O/c1-14-17(10-28)7-19(18-11-29-33(12-18)13-23(5-6-23)24(25,26)27)22(30-14)16-4-3-15-9-21(34-2)32-31-20(15)8-16/h3-4,7-9,11-12H,5-6,13H2,1-2H3
InChIKeyRXUOMUMSNAIUMZ-UHFFFAOYSA-N
XLogP5.09
TPSA89.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.45
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]pyrazol-4-yl]-6-(1,2-dimethylbenzimidazol-5-yl)pyridine-2-carbonitrile
CID 137390006
7-[6-isocyano-3-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]-5-methyl-2-pyridinyl]-3-methoxycinnoline
CID 162502525
6-imidazo[1,2-a]pyridin-7-yl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374015
7-[3-[1-[(2,2-dimethylcyclopropyl)methyl]pyrazol-4-yl]-6-isocyano-2-pyridinyl]-3-methoxycinnoline
CID 162502529
3-methoxy-7-[6-methyl-3-[1-[2-(oxolan-3-yl)ethyl]pyrazol-4-yl]-2-pyridinyl]cinnoline
CID 151659080
6-(2-chloro-1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374374
3-fluoro-6-(1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374234
6-(3-chloroquinolin-7-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374153
5-[5-fluoro-6-methyl-3-[1-(3,3,3-trifluoro-2,2-dimethylpropyl)pyrazol-4-yl]-2-pyridinyl]-1,2-dimethylbenzimidazole
CID 137389986
6-(1,2-dimethylbenzimidazol-5-yl)-5-[1-[(3-fluorocyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137390414
2-methyl-6-[6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]indazole
CID 137373976
5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylbenzotriazol-5-yl)pyridine-2-carbonitrile
CID 137373863

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxycinnolin-7-yl)-2-methyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-(3-methoxycinnolin-7-yl)-2-methyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-3-carbonitrile (CID 151796981) is 6-(3-methoxycinnolin-7-yl)-2-methyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-methoxycinnolin-7-yl)-2-methyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-methoxycinnolin-7-yl)-2-methyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-3-carbonitrile is COc1cc2ccc(-c3nc(C)c(C#N)cc3-c3cnn(CC4(C(F)(F)F)CC4)c3)cc2nn1.
What is the InChIKey of 6-(3-methoxycinnolin-7-yl)-2-methyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-3-carbonitrile?
The InChIKey is RXUOMUMSNAIUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O/c1-14-17(10-28)7-19(18-11-29-33(12-18)13-23(5-6-23)24(25,26)27)22(30-14)16-4-3-15-9-21(34-2)32-31-20(15)8-16/h3-4,7-9,11-12H,5-6,13H2,1-2H3.
What are the key properties of 6-(3-methoxycinnolin-7-yl)-2-methyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-3-carbonitrile?
6-(3-methoxycinnolin-7-yl)-2-methyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-3-carbonitrile has a molecular weight of 464.45 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxycinnolin-7-yl)-2-methyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 151796981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).