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

C21H16F3N3 — CID 17025926

IUPAC3-cyclopropyl-1-methyl-6-naphthalen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCn1nc(C2CC2)c2c(C(F)(F)F)cc(-c3ccc4ccccc4c3)nc21
InChIInChI=1S/C21H16F3N3/c1-27-20-18(19(26-27)13-7-8-13)16(21(22,23)24)11-17(25-20)15-9-6-12-4-2-3-5-14(12)10-15/h2-6,9-11,13H,7-8H2,1H3
InChIKeyRKTUWEWJCBCJLM-UHFFFAOYSA-N
MW367.37 g/mol
LogP5.68
Rot. Bonds2

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

3-cyclopropyl-1-methyl-6-naphthalen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 17025926) has the molecular formula C21H16F3N3 and a molecular weight of 367.37 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-6-naphthalen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-6-naphthalen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID17025926
Molecular FormulaC21H16F3N3
Molecular Weight367.37 g/mol
Exact Mass367.13
IUPAC Name3-cyclopropyl-1-methyl-6-naphthalen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCn1nc(C2CC2)c2c(C(F)(F)F)cc(-c3ccc4ccccc4c3)nc21
InChIInChI=1S/C21H16F3N3/c1-27-20-18(19(26-27)13-7-8-13)16(21(22,23)24)11-17(25-20)15-9-6-12-4-2-3-5-14(12)10-15/h2-6,9-11,13H,7-8H2,1H3
InChIKeyRKTUWEWJCBCJLM-UHFFFAOYSA-N
XLogP5.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.37
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905144
1-Tert-butyl-3-naphthalen-1-ylpyrazolo(3,4-d)pyrimidin-4-amine
CID 4877
1-(1,1-Dimethylethyl)-3-(1-naphthalenylmethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 5154691
3-(Naphthalen-1-Ylmethyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 46398830
3-methyl-1-phenyl-4,6-bis(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
CID 555240
1-Tert-Butyl-3-Naphthalen-2-Yl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 5059890
3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11543481
1-(1-Methylethyl)-3-(Naphthalen-1-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 24864847
3-(2-Naphthyl)-1-(4-piperidylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 70682513
5-methyl-N-(2-naphthyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 71594991
3,6-Dimethyl-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo(3,4-B)pyridine
CID 882736
1-(propan-2-yl)-3-({3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl}ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 132275094

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-6-naphthalen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-1-methyl-6-naphthalen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 17025926) is 3-cyclopropyl-1-methyl-6-naphthalen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-1-methyl-6-naphthalen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-1-methyl-6-naphthalen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cn1nc(C2CC2)c2c(C(F)(F)F)cc(-c3ccc4ccccc4c3)nc21.
What is the InChIKey of 3-cyclopropyl-1-methyl-6-naphthalen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is RKTUWEWJCBCJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3/c1-27-20-18(19(26-27)13-7-8-13)16(21(22,23)24)11-17(25-20)15-9-6-12-4-2-3-5-14(12)10-15/h2-6,9-11,13H,7-8H2,1H3.
What are the key properties of 3-cyclopropyl-1-methyl-6-naphthalen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
3-cyclopropyl-1-methyl-6-naphthalen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 367.37 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-6-naphthalen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 17025926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).