5-[5-fluoro-6-methyl-3-[1-(3,3,3-trifluoro-2,2-dimethylpropyl)pyrazol-4-yl]-2-pyridinyl]-1,2-dimethylbenzimidazole

C23H23F4N5 — CID 137389986

IUPAC5-[5-fluoro-6-methyl-3-[1-(3,3,3-trifluoro-2,2-dimethylpropyl)pyrazol-4-yl]-2-pyridinyl]-1,2-dimethylbenzimidazole
SMILESCc1nc(-c2ccc3c(c2)nc(C)n3C)c(-c2cnn(CC(C)(C)C(F)(F)F)c2)cc1F
InChIInChI=1S/C23H23F4N5/c1-13-18(24)9-17(16-10-28-32(11-16)12-22(3,4)23(25,26)27)21(29-13)15-6-7-20-19(8-15)30-14(2)31(20)5/h6-11H,12H2,1-5H3
InChIKeyRWPKLKGIZVACMA-UHFFFAOYSA-N
MW445.46 g/mol
LogP5.84
Rot. Bonds4

About 5-[5-fluoro-6-methyl-3-[1-(3,3,3-trifluoro-2,2-dimethylpropyl)pyrazol-4-yl]-2-pyridinyl]-1,2-dimethylbenzimidazole

5-[5-fluoro-6-methyl-3-[1-(3,3,3-trifluoro-2,2-dimethylpropyl)pyrazol-4-yl]-2-pyridinyl]-1,2-dimethylbenzimidazole (PubChem CID 137389986) has the molecular formula C23H23F4N5 and a molecular weight of 445.46 g/mol. Its IUPAC name is 5-[5-fluoro-6-methyl-3-[1-(3,3,3-trifluoro-2,2-dimethylpropyl)pyrazol-4-yl]-2-pyridinyl]-1,2-dimethylbenzimidazole.

Molecular Properties

Compound Name5-[5-fluoro-6-methyl-3-[1-(3,3,3-trifluoro-2,2-dimethylpropyl)pyrazol-4-yl]-2-pyridinyl]-1,2-dimethylbenzimidazole
PubChem CID137389986
Molecular FormulaC23H23F4N5
Molecular Weight445.46 g/mol
Exact Mass445.19
IUPAC Name5-[5-fluoro-6-methyl-3-[1-(3,3,3-trifluoro-2,2-dimethylpropyl)pyrazol-4-yl]-2-pyridinyl]-1,2-dimethylbenzimidazole
SMILESCc1nc(-c2ccc3c(c2)nc(C)n3C)c(-c2cnn(CC(C)(C)C(F)(F)F)c2)cc1F
InChIInChI=1S/C23H23F4N5/c1-13-18(24)9-17(16-10-28-32(11-16)12-22(3,4)23(25,26)27)21(29-13)15-6-7-20-19(8-15)30-14(2)31(20)5/h6-11H,12H2,1-5H3
InChIKeyRWPKLKGIZVACMA-UHFFFAOYSA-N
XLogP5.84
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.46
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
6-(1,2-dimethylbenzimidazol-5-yl)-5-[1-[(3-fluorocyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137390414
5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylbenzotriazol-5-yl)pyridine-2-carbonitrile
CID 137373863
6-(3-methoxycinnolin-7-yl)-2-methyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-3-carbonitrile
CID 151796981
6-(2H-benzotriazol-5-yl)-5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 137371521
3-fluoro-6-(1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374234
6-(2-chloro-1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374374
1,2-dimethyl-5-(2-methylpyrimidin-4-yl)benzimidazole
CID 116903947
7-[6-isocyano-3-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]-5-methyl-2-pyridinyl]-3-methoxycinnoline
CID 162502525
5-[1-(2,2-difluoro-3-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-quinolin-7-ylpyridine-2-carbonitrile
CID 151465416
7-[3-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine
CID 137371552
[4-bromo-5-(1,2-dimethylbenzimidazol-5-yl)-2-methylpyrazol-3-yl]methanamine
CID 84609849

Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-6-methyl-3-[1-(3,3,3-trifluoro-2,2-dimethylpropyl)pyrazol-4-yl]-2-pyridinyl]-1,2-dimethylbenzimidazole?
The IUPAC name of 5-[5-fluoro-6-methyl-3-[1-(3,3,3-trifluoro-2,2-dimethylpropyl)pyrazol-4-yl]-2-pyridinyl]-1,2-dimethylbenzimidazole (CID 137389986) is 5-[5-fluoro-6-methyl-3-[1-(3,3,3-trifluoro-2,2-dimethylpropyl)pyrazol-4-yl]-2-pyridinyl]-1,2-dimethylbenzimidazole.
What is the SMILES notation for 5-[5-fluoro-6-methyl-3-[1-(3,3,3-trifluoro-2,2-dimethylpropyl)pyrazol-4-yl]-2-pyridinyl]-1,2-dimethylbenzimidazole?
The canonical SMILES for 5-[5-fluoro-6-methyl-3-[1-(3,3,3-trifluoro-2,2-dimethylpropyl)pyrazol-4-yl]-2-pyridinyl]-1,2-dimethylbenzimidazole is Cc1nc(-c2ccc3c(c2)nc(C)n3C)c(-c2cnn(CC(C)(C)C(F)(F)F)c2)cc1F.
What is the InChIKey of 5-[5-fluoro-6-methyl-3-[1-(3,3,3-trifluoro-2,2-dimethylpropyl)pyrazol-4-yl]-2-pyridinyl]-1,2-dimethylbenzimidazole?
The InChIKey is RWPKLKGIZVACMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F4N5/c1-13-18(24)9-17(16-10-28-32(11-16)12-22(3,4)23(25,26)27)21(29-13)15-6-7-20-19(8-15)30-14(2)31(20)5/h6-11H,12H2,1-5H3.
What are the key properties of 5-[5-fluoro-6-methyl-3-[1-(3,3,3-trifluoro-2,2-dimethylpropyl)pyrazol-4-yl]-2-pyridinyl]-1,2-dimethylbenzimidazole?
5-[5-fluoro-6-methyl-3-[1-(3,3,3-trifluoro-2,2-dimethylpropyl)pyrazol-4-yl]-2-pyridinyl]-1,2-dimethylbenzimidazole has a molecular weight of 445.46 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-6-methyl-3-[1-(3,3,3-trifluoro-2,2-dimethylpropyl)pyrazol-4-yl]-2-pyridinyl]-1,2-dimethylbenzimidazole is sourced from PubChem (CID 137389986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).