5-[1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]pyrazol-4-yl]-6-(1,2-dimethylbenzimidazol-5-yl)pyridine-2-carbonitrile

C24H22F2N6 — CID 137390006

IUPAC5-[1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]pyrazol-4-yl]-6-(1,2-dimethylbenzimidazol-5-yl)pyridine-2-carbonitrile
SMILESCc1nc2cc(-c3nc(C#N)ccc3-c3cnn(CC4(C(C)(F)F)CC4)c3)ccc2n1C
InChIInChI=1S/C24H22F2N6/c1-15-29-20-10-16(4-7-21(20)31(15)3)22-19(6-5-18(11-27)30-22)17-12-28-32(13-17)14-24(8-9-24)23(2,25)26/h4-7,10,12-13H,8-9,14H2,1-3H3
InChIKeySPEXSJWBONHXAW-UHFFFAOYSA-N
MW432.48 g/mol
LogP5.11
Rot. Bonds5

About 5-[1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]pyrazol-4-yl]-6-(1,2-dimethylbenzimidazol-5-yl)pyridine-2-carbonitrile

5-[1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]pyrazol-4-yl]-6-(1,2-dimethylbenzimidazol-5-yl)pyridine-2-carbonitrile (PubChem CID 137390006) has the molecular formula C24H22F2N6 and a molecular weight of 432.48 g/mol. Its IUPAC name is 5-[1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]pyrazol-4-yl]-6-(1,2-dimethylbenzimidazol-5-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]pyrazol-4-yl]-6-(1,2-dimethylbenzimidazol-5-yl)pyridine-2-carbonitrile
PubChem CID137390006
Molecular FormulaC24H22F2N6
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name5-[1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]pyrazol-4-yl]-6-(1,2-dimethylbenzimidazol-5-yl)pyridine-2-carbonitrile
SMILESCc1nc2cc(-c3nc(C#N)ccc3-c3cnn(CC4(C(C)(F)F)CC4)c3)ccc2n1C
InChIInChI=1S/C24H22F2N6/c1-15-29-20-10-16(4-7-21(20)31(15)3)22-19(6-5-18(11-27)30-22)17-12-28-32(13-17)14-24(8-9-24)23(2,25)26/h4-7,10,12-13H,8-9,14H2,1-3H3
InChIKeySPEXSJWBONHXAW-UHFFFAOYSA-N
XLogP5.11
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,2-dimethylbenzimidazol-5-yl)-5-[1-[(3-fluorocyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137390414
6-(2-chloro-1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374374
5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylbenzotriazol-5-yl)pyridine-2-carbonitrile
CID 137373863
6-imidazo[1,2-a]pyridin-7-yl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374015
6-(2H-benzotriazol-5-yl)-5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 137371521
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-(3-methoxycinnolin-7-yl)-2-methyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-3-carbonitrile
CID 151796981
6-(3-chloroquinolin-7-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374153
5-[1-(2,2-difluoro-3-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-quinolin-7-ylpyridine-2-carbonitrile
CID 151465416
6-[2-(2-fluoroethyl)-3-oxo-1H-isoindol-5-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 129285848
5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carbonitrile
CID 137374338
6-quinolin-7-yl-5-[1-(spiro[2.2]pentan-2-ylmethyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 151401083

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]pyrazol-4-yl]-6-(1,2-dimethylbenzimidazol-5-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-[1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]pyrazol-4-yl]-6-(1,2-dimethylbenzimidazol-5-yl)pyridine-2-carbonitrile (CID 137390006) is 5-[1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]pyrazol-4-yl]-6-(1,2-dimethylbenzimidazol-5-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-[1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]pyrazol-4-yl]-6-(1,2-dimethylbenzimidazol-5-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-[1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]pyrazol-4-yl]-6-(1,2-dimethylbenzimidazol-5-yl)pyridine-2-carbonitrile is Cc1nc2cc(-c3nc(C#N)ccc3-c3cnn(CC4(C(C)(F)F)CC4)c3)ccc2n1C.
What is the InChIKey of 5-[1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]pyrazol-4-yl]-6-(1,2-dimethylbenzimidazol-5-yl)pyridine-2-carbonitrile?
The InChIKey is SPEXSJWBONHXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6/c1-15-29-20-10-16(4-7-21(20)31(15)3)22-19(6-5-18(11-27)30-22)17-12-28-32(13-17)14-24(8-9-24)23(2,25)26/h4-7,10,12-13H,8-9,14H2,1-3H3.
What are the key properties of 5-[1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]pyrazol-4-yl]-6-(1,2-dimethylbenzimidazol-5-yl)pyridine-2-carbonitrile?
5-[1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]pyrazol-4-yl]-6-(1,2-dimethylbenzimidazol-5-yl)pyridine-2-carbonitrile has a molecular weight of 432.48 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]pyrazol-4-yl]-6-(1,2-dimethylbenzimidazol-5-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 137390006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).