6-[2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine

C18H16FN5 — CID 177380779

IUPAC6-[2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine
SMILESCc1nn(C)c(C)c1-c1cccc(-c2cnc3nc[nH]c3c2)c1F
InChIInChI=1S/C18H16FN5/c1-10-16(11(2)24(3)23-10)14-6-4-5-13(17(14)19)12-7-15-18(20-8-12)22-9-21-15/h4-9H,1-3H3,(H,20,21,22)
InChIKeyGMSPUWHNSXIMEO-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.78
Rot. Bonds2

About 6-[2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine

6-[2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 177380779) has the molecular formula C18H16FN5 and a molecular weight of 321.36 g/mol. Its IUPAC name is 6-[2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine
PubChem CID177380779
Molecular FormulaC18H16FN5
Molecular Weight321.36 g/mol
Exact Mass321.14
IUPAC Name6-[2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine
SMILESCc1nn(C)c(C)c1-c1cccc(-c2cnc3nc[nH]c3c2)c1F
InChIInChI=1S/C18H16FN5/c1-10-16(11(2)24(3)23-10)14-6-4-5-13(17(14)19)12-7-15-18(20-8-12)22-9-21-15/h4-9H,1-3H3,(H,20,21,22)
InChIKeyGMSPUWHNSXIMEO-UHFFFAOYSA-N
XLogP3.78
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)benzoic acid
CID 107957677
4-bromo-6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazole
CID 121434485
N-ethyl-N-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-7-yl)-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanesulfonamide
CID 170556454
7-[2-fluoro-5-(oxolan-2-ylmethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine
CID 170556443
3,5-dimethyl-4-[6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazol-4-yl]-1,2-oxazole
CID 121293088
6-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
CID 12784298
3-amino-2,6-difluoro-5-(1H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 86653263
5-(1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyridin-2-one
CID 141435972
3-(1,3-dimethylpyrazol-4-yl)-6-fluoro-1H-indole;6-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)-1H-indole
CID 118064813
5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-benzimidazole
CID 118330653
9-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)fluoren-9-ol
CID 59493120
6-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine
CID 174897333

Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-[2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine (CID 177380779) is 6-[2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-[2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-[2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine is Cc1nn(C)c(C)c1-c1cccc(-c2cnc3nc[nH]c3c2)c1F.
What is the InChIKey of 6-[2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is GMSPUWHNSXIMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5/c1-10-16(11(2)24(3)23-10)14-6-4-5-13(17(14)19)12-7-15-18(20-8-12)22-9-21-15/h4-9H,1-3H3,(H,20,21,22).
What are the key properties of 6-[2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine?
6-[2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 321.36 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 177380779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).