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

C20H18F3N5 — CID 134450037

IUPAC2-cyclopentyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine
SMILESCc1cc(-c2c3nc(C(F)(F)F)ccc3nn2C2CCCC2)cc2cn[nH]c12
InChIInChI=1S/C20H18F3N5/c1-11-8-12(9-13-10-24-26-17(11)13)19-18-15(6-7-16(25-18)20(21,22)23)27-28(19)14-4-2-3-5-14/h6-10,14H,2-5H2,1H3,(H,24,26)
InChIKeyLAHAJVLRYWYORC-UHFFFAOYSA-N
MW385.39 g/mol
LogP5.42
Rot. Bonds2

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

2-cyclopentyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine (PubChem CID 134450037) has the molecular formula C20H18F3N5 and a molecular weight of 385.39 g/mol. Its IUPAC name is 2-cyclopentyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name2-cyclopentyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine
PubChem CID134450037
Molecular FormulaC20H18F3N5
Molecular Weight385.39 g/mol
Exact Mass385.15
IUPAC Name2-cyclopentyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine
SMILESCc1cc(-c2c3nc(C(F)(F)F)ccc3nn2C2CCCC2)cc2cn[nH]c12
InChIInChI=1S/C20H18F3N5/c1-11-8-12(9-13-10-24-26-17(11)13)19-18-15(6-7-16(25-18)20(21,22)23)27-28(19)14-4-2-3-5-14/h6-10,14H,2-5H2,1H3,(H,24,26)
InChIKeyLAHAJVLRYWYORC-UHFFFAOYSA-N
XLogP5.42
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.39
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The IUPAC name of 2-cyclopentyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine (CID 134450037) is 2-cyclopentyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 2-cyclopentyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The canonical SMILES for 2-cyclopentyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine is Cc1cc(-c2c3nc(C(F)(F)F)ccc3nn2C2CCCC2)cc2cn[nH]c12.
What is the InChIKey of 2-cyclopentyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The InChIKey is LAHAJVLRYWYORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5/c1-11-8-12(9-13-10-24-26-17(11)13)19-18-15(6-7-16(25-18)20(21,22)23)27-28(19)14-4-2-3-5-14/h6-10,14H,2-5H2,1H3,(H,24,26).
What are the key properties of 2-cyclopentyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
2-cyclopentyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine has a molecular weight of 385.39 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 134450037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).