3-methyl-6-naphthalen-2-yl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C21H18F3N3 — CID 19497910

IUPAC3-methyl-6-naphthalen-2-yl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(C(C)C)c2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)c12
InChIInChI=1S/C21H18F3N3/c1-12(2)27-20-19(13(3)26-27)17(21(22,23)24)11-18(25-20)16-9-8-14-6-4-5-7-15(14)10-16/h4-12H,1-3H3
InChIKeyMPTOJEFPSLZRMV-UHFFFAOYSA-N
MW369.39 g/mol
LogP6.16
Rot. Bonds2

About 3-methyl-6-naphthalen-2-yl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

3-methyl-6-naphthalen-2-yl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 19497910) has the molecular formula C21H18F3N3 and a molecular weight of 369.39 g/mol. Its IUPAC name is 3-methyl-6-naphthalen-2-yl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-methyl-6-naphthalen-2-yl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID19497910
Molecular FormulaC21H18F3N3
Molecular Weight369.39 g/mol
Exact Mass369.15
IUPAC Name3-methyl-6-naphthalen-2-yl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(C(C)C)c2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)c12
InChIInChI=1S/C21H18F3N3/c1-12(2)27-20-19(13(3)26-27)17(21(22,23)24)11-18(25-20)16-9-8-14-6-4-5-7-15(14)10-16/h4-12H,1-3H3
InChIKeyMPTOJEFPSLZRMV-UHFFFAOYSA-N
XLogP6.16
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.39
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-naphthalen-2-yl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 3-methyl-6-naphthalen-2-yl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 19497910) is 3-methyl-6-naphthalen-2-yl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-methyl-6-naphthalen-2-yl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-methyl-6-naphthalen-2-yl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cc1nn(C(C)C)c2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)c12.
What is the InChIKey of 3-methyl-6-naphthalen-2-yl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is MPTOJEFPSLZRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3/c1-12(2)27-20-19(13(3)26-27)17(21(22,23)24)11-18(25-20)16-9-8-14-6-4-5-7-15(14)10-16/h4-12H,1-3H3.
What are the key properties of 3-methyl-6-naphthalen-2-yl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
3-methyl-6-naphthalen-2-yl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 369.39 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-naphthalen-2-yl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 19497910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).