KMRVJOCERODYSG-UHFFFAOYSA-N

C₁₉H₁₅F₃N₄O — CID 146662177

About KMRVJOCERODYSG-UHFFFAOYSA-N

KMRVJOCERODYSG-UHFFFAOYSA-N (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 Name: KMRVJOCERODYSG-UHFFFAOYSA-N
• PubChem CID: 146662177
• Molecular Formula: C₁₉H₁₅F₃N₄O
• Molecular Weight: 372.35 g/mol
• Exact Mass: 372.12
• IUPAC Name: 2-ethynyl-7-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine
• SMILES: C#Cc1ccc2ncc(-c3cn(C4CCCCO4)nc3C(F)(F)F)cc2n1
• InChI: 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
• InChIKey: KMRVJOCERODYSG-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 52.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.35
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of KMRVJOCERODYSG-UHFFFAOYSA-N?

The IUPAC name of KMRVJOCERODYSG-UHFFFAOYSA-N (CID 146662177) is 2-ethynyl-7-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine.

What is the SMILES notation for KMRVJOCERODYSG-UHFFFAOYSA-N?

The canonical SMILES for KMRVJOCERODYSG-UHFFFAOYSA-N is C#Cc1ccc2ncc(-c3cn(C4CCCCO4)nc3C(F)(F)F)cc2n1.

What is the InChIKey of KMRVJOCERODYSG-UHFFFAOYSA-N?

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 KMRVJOCERODYSG-UHFFFAOYSA-N?

KMRVJOCERODYSG-UHFFFAOYSA-N 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 KMRVJOCERODYSG-UHFFFAOYSA-N is sourced from PubChem (CID 146662177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146662177 — identifiers, structure, computed properties (public domain)

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