7-chloro-5-[2-(1,1-difluoroethyl)-4-methylimidazol-1-yl]-1H-indazole

C13H11ClF2N4 — CID 172815818

IUPAC7-chloro-5-[2-(1,1-difluoroethyl)-4-methylimidazol-1-yl]-1H-indazole
SMILESCc1cn(-c2cc(Cl)c3[nH]ncc3c2)c(C(C)(F)F)n1
InChIInChI=1S/C13H11ClF2N4/c1-7-6-20(12(18-7)13(2,15)16)9-3-8-5-17-19-11(8)10(14)4-9/h3-6H,1-2H3,(H,17,19)
InChIKeySUFUMRJZYRTJPT-UHFFFAOYSA-N
MW296.71 g/mol
LogP3.82
Rot. Bonds2

About 7-chloro-5-[2-(1,1-difluoroethyl)-4-methylimidazol-1-yl]-1H-indazole

7-chloro-5-[2-(1,1-difluoroethyl)-4-methylimidazol-1-yl]-1H-indazole (PubChem CID 172815818) has the molecular formula C13H11ClF2N4 and a molecular weight of 296.71 g/mol. Its IUPAC name is 7-chloro-5-[2-(1,1-difluoroethyl)-4-methylimidazol-1-yl]-1H-indazole.

Molecular Properties

Compound Name7-chloro-5-[2-(1,1-difluoroethyl)-4-methylimidazol-1-yl]-1H-indazole
PubChem CID172815818
Molecular FormulaC13H11ClF2N4
Molecular Weight296.71 g/mol
Exact Mass296.06
IUPAC Name7-chloro-5-[2-(1,1-difluoroethyl)-4-methylimidazol-1-yl]-1H-indazole
SMILESCc1cn(-c2cc(Cl)c3[nH]ncc3c2)c(C(C)(F)F)n1
InChIInChI=1S/C13H11ClF2N4/c1-7-6-20(12(18-7)13(2,15)16)9-3-8-5-17-19-11(8)10(14)4-9/h3-6H,1-2H3,(H,17,19)
InChIKeySUFUMRJZYRTJPT-UHFFFAOYSA-N
XLogP3.82
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

US11312712, Example 374
CID 122654337
US11312712, Example 314
CID 122654382
US11312712, Example 170
CID 122654383
US11312712, Example 315
CID 122654403
US11312712, Example 324
CID 122654405
US11312712, Example 202
CID 122654423
US11312712, Example 214
CID 122654433
3-(7-Chloro-1H-indazol-5-yl)-2-(difluoromethyl)-5-(trifluoromethyl)-3H-imidazo[4,5-b]pyridine
CID 122654438
3-(7-Chloro-1H-indazol-5-YL)-2,5-bis(trifluoromethyl)-3H-imidazo[4,5-B]pyridine
CID 122654449
US11312712, Example 210
CID 122654466
US11312712, Example 109
CID 122654501
US11312712, Example 414
CID 122654566

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[2-(1,1-difluoroethyl)-4-methylimidazol-1-yl]-1H-indazole?
The IUPAC name of 7-chloro-5-[2-(1,1-difluoroethyl)-4-methylimidazol-1-yl]-1H-indazole (CID 172815818) is 7-chloro-5-[2-(1,1-difluoroethyl)-4-methylimidazol-1-yl]-1H-indazole.
What is the SMILES notation for 7-chloro-5-[2-(1,1-difluoroethyl)-4-methylimidazol-1-yl]-1H-indazole?
The canonical SMILES for 7-chloro-5-[2-(1,1-difluoroethyl)-4-methylimidazol-1-yl]-1H-indazole is Cc1cn(-c2cc(Cl)c3[nH]ncc3c2)c(C(C)(F)F)n1.
What is the InChIKey of 7-chloro-5-[2-(1,1-difluoroethyl)-4-methylimidazol-1-yl]-1H-indazole?
The InChIKey is SUFUMRJZYRTJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N4/c1-7-6-20(12(18-7)13(2,15)16)9-3-8-5-17-19-11(8)10(14)4-9/h3-6H,1-2H3,(H,17,19).
What are the key properties of 7-chloro-5-[2-(1,1-difluoroethyl)-4-methylimidazol-1-yl]-1H-indazole?
7-chloro-5-[2-(1,1-difluoroethyl)-4-methylimidazol-1-yl]-1H-indazole has a molecular weight of 296.71 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[2-(1,1-difluoroethyl)-4-methylimidazol-1-yl]-1H-indazole is sourced from PubChem (CID 172815818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).