2-ethynyl-7-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine

C19H15F3N4O — CID 146662177

IUPAC2-ethynyl-7-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESC#Cc1ccc2ncc(-c3cn(C4CCCCO4)nc3C(F)(F)F)cc2n1
InChIInChI=1S/C19H15F3N4O/c1-2-13-6-7-15-16(24-13)9-12(10-23-15)14-11-26(17-5-3-4-8-27-17)25-18(14)19(20,21)22/h1,6-7,9-11,17H,3-5,8H2
InChIKeyKMRVJOCERODYSG-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.19
Rot. Bonds2

About 2-ethynyl-7-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine

2-ethynyl-7-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 146662177) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 2-ethynyl-7-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-ethynyl-7-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine
PubChem CID146662177
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name2-ethynyl-7-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESC#Cc1ccc2ncc(-c3cn(C4CCCCO4)nc3C(F)(F)F)cc2n1
InChIInChI=1S/C19H15F3N4O/c1-2-13-6-7-15-16(24-13)9-12(10-23-15)14-11-26(17-5-3-4-8-27-17)25-18(14)19(20,21)22/h1,6-7,9-11,17H,3-5,8H2
InChIKeyKMRVJOCERODYSG-UHFFFAOYSA-N
XLogP4.19
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-7-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-ethynyl-7-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine (CID 146662177) is 2-ethynyl-7-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-ethynyl-7-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-ethynyl-7-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine is C#Cc1ccc2ncc(-c3cn(C4CCCCO4)nc3C(F)(F)F)cc2n1.
What is the InChIKey of 2-ethynyl-7-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is KMRVJOCERODYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c1-2-13-6-7-15-16(24-13)9-12(10-23-15)14-11-26(17-5-3-4-8-27-17)25-18(14)19(20,21)22/h1,6-7,9-11,17H,3-5,8H2.
What are the key properties of 2-ethynyl-7-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine?
2-ethynyl-7-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 372.35 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-7-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 146662177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).