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

C19H17F3N4 — CID 122654411

IUPAC1-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine
SMILESCc1cc(-n2c(C(C)C)cc3ccc(C(F)(F)F)nc32)cc2cn[nH]c12
InChIInChI=1S/C19H17F3N4/c1-10(2)15-8-12-4-5-16(19(20,21)22)24-18(12)26(15)14-6-11(3)17-13(7-14)9-23-25-17/h4-10H,1-3H3,(H,23,25)
InChIKeyQGJFIXUJPXFMLA-UHFFFAOYSA-N
MW358.37 g/mol
LogP5.35
Rot. Bonds2

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

1-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine (PubChem CID 122654411) has the molecular formula C19H17F3N4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 1-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine
PubChem CID122654411
Molecular FormulaC19H17F3N4
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name1-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine
SMILESCc1cc(-n2c(C(C)C)cc3ccc(C(F)(F)F)nc32)cc2cn[nH]c12
InChIInChI=1S/C19H17F3N4/c1-10(2)15-8-12-4-5-16(19(20,21)22)24-18(12)26(15)14-6-11(3)17-13(7-14)9-23-25-17/h4-10H,1-3H3,(H,23,25)
InChIKeyQGJFIXUJPXFMLA-UHFFFAOYSA-N
XLogP5.35
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.37
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine (CID 122654411) is 1-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine is Cc1cc(-n2c(C(C)C)cc3ccc(C(F)(F)F)nc32)cc2cn[nH]c12.
What is the InChIKey of 1-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
The InChIKey is QGJFIXUJPXFMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4/c1-10(2)15-8-12-4-5-16(19(20,21)22)24-18(12)26(15)14-6-11(3)17-13(7-14)9-23-25-17/h4-10H,1-3H3,(H,23,25).
What are the key properties of 1-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
1-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine has a molecular weight of 358.37 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 122654411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).