6-cyclopropyl-2,4-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[3,4-c]pyridin-7-one

C18H17F3N4O — CID 172639007

IUPAC6-cyclopropyl-2,4-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[3,4-c]pyridin-7-one
SMILESCc1cn(C2CC2)c(=O)c2nn(C)c(Cc3ccc(C(F)(F)F)nc3)c12
InChIInChI=1S/C18H17F3N4O/c1-10-9-25(12-4-5-12)17(26)16-15(10)13(24(2)23-16)7-11-3-6-14(22-8-11)18(19,20)21/h3,6,8-9,12H,4-5,7H2,1-2H3
InChIKeyZWLIXFSAZKTXEN-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.38
Rot. Bonds3

About 6-cyclopropyl-2,4-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[3,4-c]pyridin-7-one

6-cyclopropyl-2,4-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[3,4-c]pyridin-7-one (PubChem CID 172639007) has the molecular formula C18H17F3N4O and a molecular weight of 362.36 g/mol. Its IUPAC name is 6-cyclopropyl-2,4-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name6-cyclopropyl-2,4-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[3,4-c]pyridin-7-one
PubChem CID172639007
Molecular FormulaC18H17F3N4O
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Name6-cyclopropyl-2,4-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[3,4-c]pyridin-7-one
SMILESCc1cn(C2CC2)c(=O)c2nn(C)c(Cc3ccc(C(F)(F)F)nc3)c12
InChIInChI=1S/C18H17F3N4O/c1-10-9-25(12-4-5-12)17(26)16-15(10)13(24(2)23-16)7-11-3-6-14(22-8-11)18(19,20)21/h3,6,8-9,12H,4-5,7H2,1-2H3
InChIKeyZWLIXFSAZKTXEN-UHFFFAOYSA-N
XLogP3.38
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2,4-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 6-cyclopropyl-2,4-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[3,4-c]pyridin-7-one (CID 172639007) is 6-cyclopropyl-2,4-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 6-cyclopropyl-2,4-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 6-cyclopropyl-2,4-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[3,4-c]pyridin-7-one is Cc1cn(C2CC2)c(=O)c2nn(C)c(Cc3ccc(C(F)(F)F)nc3)c12.
What is the InChIKey of 6-cyclopropyl-2,4-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[3,4-c]pyridin-7-one?
The InChIKey is ZWLIXFSAZKTXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O/c1-10-9-25(12-4-5-12)17(26)16-15(10)13(24(2)23-16)7-11-3-6-14(22-8-11)18(19,20)21/h3,6,8-9,12H,4-5,7H2,1-2H3.
What are the key properties of 6-cyclopropyl-2,4-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[3,4-c]pyridin-7-one?
6-cyclopropyl-2,4-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[3,4-c]pyridin-7-one has a molecular weight of 362.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2,4-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 172639007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).