2-methyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine

C16H12F3N5 — CID 134450379

IUPAC2-methyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine
SMILESCc1cc(-c2c3nc(C(F)(F)F)ccc3nn2C)cc2cn[nH]c12
InChIInChI=1S/C16H12F3N5/c1-8-5-9(6-10-7-20-22-13(8)10)15-14-11(23-24(15)2)3-4-12(21-14)16(17,18)19/h3-7H,1-2H3,(H,20,22)
InChIKeyHWDPNSZBUOFLEZ-UHFFFAOYSA-N
MW331.30 g/mol
LogP3.84
Rot. Bonds1

About 2-methyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine

2-methyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine (PubChem CID 134450379) has the molecular formula C16H12F3N5 and a molecular weight of 331.30 g/mol. Its IUPAC name is 2-methyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name2-methyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine
PubChem CID134450379
Molecular FormulaC16H12F3N5
Molecular Weight331.30 g/mol
Exact Mass331.10
IUPAC Name2-methyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine
SMILESCc1cc(-c2c3nc(C(F)(F)F)ccc3nn2C)cc2cn[nH]c12
InChIInChI=1S/C16H12F3N5/c1-8-5-9(6-10-7-20-22-13(8)10)15-14-11(23-24(15)2)3-4-12(21-14)16(17,18)19/h3-7H,1-2H3,(H,20,22)
InChIKeyHWDPNSZBUOFLEZ-UHFFFAOYSA-N
XLogP3.84
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The IUPAC name of 2-methyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine (CID 134450379) is 2-methyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 2-methyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The canonical SMILES for 2-methyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine is Cc1cc(-c2c3nc(C(F)(F)F)ccc3nn2C)cc2cn[nH]c12.
What is the InChIKey of 2-methyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The InChIKey is HWDPNSZBUOFLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5/c1-8-5-9(6-10-7-20-22-13(8)10)15-14-11(23-24(15)2)3-4-12(21-14)16(17,18)19/h3-7H,1-2H3,(H,20,22).
What are the key properties of 2-methyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
2-methyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine has a molecular weight of 331.30 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 134450379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).