2-oxo-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]-5,6,7,8-tetrahydro-1H-1,8-naphthyridine-4-carboxamide

C15H16F3N5O2 — CID 166278443

IUPAC2-oxo-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]-5,6,7,8-tetrahydro-1H-1,8-naphthyridine-4-carboxamide
SMILESO=C(Nc1ccn(CCC(F)(F)F)n1)c1cc(=O)[nH]c2c1CCCN2
InChIInChI=1S/C15H16F3N5O2/c16-15(17,18)4-7-23-6-3-11(22-23)20-14(25)10-8-12(24)21-13-9(10)2-1-5-19-13/h3,6,8H,1-2,4-5,7H2,(H2,19,21,24)(H,20,22,25)
InChIKeyYFZIIKDPMGYLNF-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.13
Rot. Bonds4

About 2-oxo-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]-5,6,7,8-tetrahydro-1H-1,8-naphthyridine-4-carboxamide

2-oxo-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]-5,6,7,8-tetrahydro-1H-1,8-naphthyridine-4-carboxamide (PubChem CID 166278443) has the molecular formula C15H16F3N5O2 and a molecular weight of 355.32 g/mol. Its IUPAC name is 2-oxo-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]-5,6,7,8-tetrahydro-1H-1,8-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]-5,6,7,8-tetrahydro-1H-1,8-naphthyridine-4-carboxamide
PubChem CID166278443
Molecular FormulaC15H16F3N5O2
Molecular Weight355.32 g/mol
Exact Mass355.13
IUPAC Name2-oxo-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]-5,6,7,8-tetrahydro-1H-1,8-naphthyridine-4-carboxamide
SMILESO=C(Nc1ccn(CCC(F)(F)F)n1)c1cc(=O)[nH]c2c1CCCN2
InChIInChI=1S/C15H16F3N5O2/c16-15(17,18)4-7-23-6-3-11(22-23)20-14(25)10-8-12(24)21-13-9(10)2-1-5-19-13/h3,6,8H,1-2,4-5,7H2,(H2,19,21,24)(H,20,22,25)
InChIKeyYFZIIKDPMGYLNF-UHFFFAOYSA-N
XLogP2.13
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]-5,6,7,8-tetrahydro-1H-1,8-naphthyridine-4-carboxamide?
The IUPAC name of 2-oxo-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]-5,6,7,8-tetrahydro-1H-1,8-naphthyridine-4-carboxamide (CID 166278443) is 2-oxo-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]-5,6,7,8-tetrahydro-1H-1,8-naphthyridine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]-5,6,7,8-tetrahydro-1H-1,8-naphthyridine-4-carboxamide?
The canonical SMILES for 2-oxo-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]-5,6,7,8-tetrahydro-1H-1,8-naphthyridine-4-carboxamide is O=C(Nc1ccn(CCC(F)(F)F)n1)c1cc(=O)[nH]c2c1CCCN2.
What is the InChIKey of 2-oxo-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]-5,6,7,8-tetrahydro-1H-1,8-naphthyridine-4-carboxamide?
The InChIKey is YFZIIKDPMGYLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O2/c16-15(17,18)4-7-23-6-3-11(22-23)20-14(25)10-8-12(24)21-13-9(10)2-1-5-19-13/h3,6,8H,1-2,4-5,7H2,(H2,19,21,24)(H,20,22,25).
What are the key properties of 2-oxo-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]-5,6,7,8-tetrahydro-1H-1,8-naphthyridine-4-carboxamide?
2-oxo-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]-5,6,7,8-tetrahydro-1H-1,8-naphthyridine-4-carboxamide has a molecular weight of 355.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]-5,6,7,8-tetrahydro-1H-1,8-naphthyridine-4-carboxamide is sourced from PubChem (CID 166278443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).