7-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine

C18H14ClF3N4 — CID 134458011

IUPAC7-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESCC(C)c1cc2ccc(C(F)(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1
InChIInChI=1S/C18H14ClF3N4/c1-9(2)15-7-12-3-4-13(18(20,21)22)17(26(12)25-15)10-5-11-8-23-24-16(11)14(19)6-10/h3-9H,1-2H3,(H,23,24)
InChIKeyONCMLRPNKIQCQP-UHFFFAOYSA-N
MW378.79 g/mol
LogP5.67
Rot. Bonds2

About 7-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine

7-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine (PubChem CID 134458011) has the molecular formula C18H14ClF3N4 and a molecular weight of 378.79 g/mol. Its IUPAC name is 7-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
PubChem CID134458011
Molecular FormulaC18H14ClF3N4
Molecular Weight378.79 g/mol
Exact Mass378.09
IUPAC Name7-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESCC(C)c1cc2ccc(C(F)(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1
InChIInChI=1S/C18H14ClF3N4/c1-9(2)15-7-12-3-4-13(18(20,21)22)17(26(12)25-15)10-5-11-8-23-24-16(11)14(19)6-10/h3-9H,1-2H3,(H,23,24)
InChIKeyONCMLRPNKIQCQP-UHFFFAOYSA-N
XLogP5.67
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.79
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 7-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine (CID 134458011) is 7-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 7-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 7-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine is CC(C)c1cc2ccc(C(F)(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1.
What is the InChIKey of 7-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The InChIKey is ONCMLRPNKIQCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4/c1-9(2)15-7-12-3-4-13(18(20,21)22)17(26(12)25-15)10-5-11-8-23-24-16(11)14(19)6-10/h3-9H,1-2H3,(H,23,24).
What are the key properties of 7-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
7-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine has a molecular weight of 378.79 g/mol, XLogP of 5.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7-chloro-1H-indazol-5-yl)-2-propan-2-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 134458011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).