1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine

C16H10ClF3N4 — CID 122654337

IUPAC1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine
SMILESCc1cc2ccc(C(F)(F)F)nc2n1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C16H10ClF3N4/c1-8-4-9-2-3-13(16(18,19)20)22-15(9)24(8)11-5-10-7-21-23-14(10)12(17)6-11/h2-7H,1H3,(H,21,23)
InChIKeyGBWHPNABVPMATA-UHFFFAOYSA-N
MW350.73 g/mol
LogP4.88
Rot. Bonds1

About 1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine

1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine (PubChem CID 122654337) has the molecular formula C16H10ClF3N4 and a molecular weight of 350.73 g/mol. Its IUPAC name is 1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine
PubChem CID122654337
Molecular FormulaC16H10ClF3N4
Molecular Weight350.73 g/mol
Exact Mass350.05
IUPAC Name1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine
SMILESCc1cc2ccc(C(F)(F)F)nc2n1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C16H10ClF3N4/c1-8-4-9-2-3-13(16(18,19)20)22-15(9)24(8)11-5-10-7-21-23-14(10)12(17)6-11/h2-7H,1H3,(H,21,23)
InChIKeyGBWHPNABVPMATA-UHFFFAOYSA-N
XLogP4.88
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.73
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

6-chloro-2-N-(7-chloro-1H-indazol-5-yl)-4-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine
CID 137645076
6-N-[(3-chlorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 168276088
6-N-[(4-chlorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 168280107
US11312712, Example 221
CID 122654365
US11312712, Example 125
CID 122654374
US11312712, Example 314
CID 122654382
US11312712, Example 170
CID 122654383
US11312712, Example 315
CID 122654403
US11312712, Example 241
CID 122654404
US11312712, Example 324
CID 122654405
US11312712, Example 208
CID 122654408
US11312712, Example 370
CID 122654411

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine (CID 122654337) is 1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine is Cc1cc2ccc(C(F)(F)F)nc2n1-c1cc(Cl)c2[nH]ncc2c1.
What is the InChIKey of 1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
The InChIKey is GBWHPNABVPMATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4/c1-8-4-9-2-3-13(16(18,19)20)22-15(9)24(8)11-5-10-7-21-23-14(10)12(17)6-11/h2-7H,1H3,(H,21,23).
What are the key properties of 1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine has a molecular weight of 350.73 g/mol, XLogP of 4.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1H-indazol-5-yl)-2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 122654337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).