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

C18H16F3N5 — CID 134450039

IUPAC3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine
SMILESCc1cc(-c2c3nc(C(F)(F)F)ccc3nn2C(C)C)cc2cn[nH]c12
InChIInChI=1S/C18H16F3N5/c1-9(2)26-17(11-6-10(3)15-12(7-11)8-22-24-15)16-13(25-26)4-5-14(23-16)18(19,20)21/h4-9H,1-3H3,(H,22,24)
InChIKeyICVTZULJOHHHQC-UHFFFAOYSA-N
MW359.36 g/mol
LogP4.88
Rot. Bonds2

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

3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine (PubChem CID 134450039) has the molecular formula C18H16F3N5 and a molecular weight of 359.36 g/mol. Its IUPAC name is 3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine
PubChem CID134450039
Molecular FormulaC18H16F3N5
Molecular Weight359.36 g/mol
Exact Mass359.14
IUPAC Name3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine
SMILESCc1cc(-c2c3nc(C(F)(F)F)ccc3nn2C(C)C)cc2cn[nH]c12
InChIInChI=1S/C18H16F3N5/c1-9(2)26-17(11-6-10(3)15-12(7-11)8-22-24-15)16-13(25-26)4-5-14(23-16)18(19,20)21/h4-9H,1-3H3,(H,22,24)
InChIKeyICVTZULJOHHHQC-UHFFFAOYSA-N
XLogP4.88
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine (CID 134450039) is 3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine is Cc1cc(-c2c3nc(C(F)(F)F)ccc3nn2C(C)C)cc2cn[nH]c12.
What is the InChIKey of 3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The InChIKey is ICVTZULJOHHHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5/c1-9(2)26-17(11-6-10(3)15-12(7-11)8-22-24-15)16-13(25-26)4-5-14(23-16)18(19,20)21/h4-9H,1-3H3,(H,22,24).
What are the key properties of 3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine has a molecular weight of 359.36 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-1H-indazol-5-yl)-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 134450039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).