7-chloro-1,5-dimethyl-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]pyrazolo[4,3-b]pyridine

C18H13ClF3N5 — CID 68653528

IUPAC7-chloro-1,5-dimethyl-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]pyrazolo[4,3-b]pyridine
SMILESCc1cc(Cl)c2c(n1)c(-c1ccc(-n3cccn3)cc1C(F)(F)F)nn2C
InChIInChI=1S/C18H13ClF3N5/c1-10-8-14(19)17-16(24-10)15(25-26(17)2)12-5-4-11(27-7-3-6-23-27)9-13(12)18(20,21)22/h3-9H,1-2H3
InChIKeyDJABTWXPDTUYGN-UHFFFAOYSA-N
MW391.78 g/mol
LogP4.80
Rot. Bonds2

About 7-chloro-1,5-dimethyl-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]pyrazolo[4,3-b]pyridine

7-chloro-1,5-dimethyl-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]pyrazolo[4,3-b]pyridine (PubChem CID 68653528) has the molecular formula C18H13ClF3N5 and a molecular weight of 391.78 g/mol. Its IUPAC name is 7-chloro-1,5-dimethyl-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name7-chloro-1,5-dimethyl-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]pyrazolo[4,3-b]pyridine
PubChem CID68653528
Molecular FormulaC18H13ClF3N5
Molecular Weight391.78 g/mol
Exact Mass391.08
IUPAC Name7-chloro-1,5-dimethyl-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]pyrazolo[4,3-b]pyridine
SMILESCc1cc(Cl)c2c(n1)c(-c1ccc(-n3cccn3)cc1C(F)(F)F)nn2C
InChIInChI=1S/C18H13ClF3N5/c1-10-8-14(19)17-16(24-10)15(25-26(17)2)12-5-4-11(27-7-3-6-23-27)9-13(12)18(20,21)22/h3-9H,1-2H3
InChIKeyDJABTWXPDTUYGN-UHFFFAOYSA-N
XLogP4.80
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.78
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,5-dimethyl-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]pyrazolo[4,3-b]pyridine?
The IUPAC name of 7-chloro-1,5-dimethyl-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]pyrazolo[4,3-b]pyridine (CID 68653528) is 7-chloro-1,5-dimethyl-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 7-chloro-1,5-dimethyl-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]pyrazolo[4,3-b]pyridine?
The canonical SMILES for 7-chloro-1,5-dimethyl-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]pyrazolo[4,3-b]pyridine is Cc1cc(Cl)c2c(n1)c(-c1ccc(-n3cccn3)cc1C(F)(F)F)nn2C.
What is the InChIKey of 7-chloro-1,5-dimethyl-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]pyrazolo[4,3-b]pyridine?
The InChIKey is DJABTWXPDTUYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N5/c1-10-8-14(19)17-16(24-10)15(25-26(17)2)12-5-4-11(27-7-3-6-23-27)9-13(12)18(20,21)22/h3-9H,1-2H3.
What are the key properties of 7-chloro-1,5-dimethyl-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]pyrazolo[4,3-b]pyridine?
7-chloro-1,5-dimethyl-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]pyrazolo[4,3-b]pyridine has a molecular weight of 391.78 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,5-dimethyl-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 68653528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).