6-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile

C18H17N5O2 — CID 56718011

IUPAC6-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2c(=O)n(CCCn3nccc3C3CC3)ccc2[nH]c1=O
InChIInChI=1S/C18H17N5O2/c19-11-13-10-14-15(21-17(13)24)5-9-22(18(14)25)7-1-8-23-16(4-6-20-23)12-2-3-12/h4-6,9-10,12H,1-3,7-8H2,(H,21,24)
InChIKeyGLXUAORHKCDLBX-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.73
Rot. Bonds5

About 6-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile

6-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile (PubChem CID 56718011) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 6-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
PubChem CID56718011
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name6-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2c(=O)n(CCCn3nccc3C3CC3)ccc2[nH]c1=O
InChIInChI=1S/C18H17N5O2/c19-11-13-10-14-15(21-17(13)24)5-9-22(18(14)25)7-1-8-23-16(4-6-20-23)12-2-3-12/h4-6,9-10,12H,1-3,7-8H2,(H,21,24)
InChIKeyGLXUAORHKCDLBX-UHFFFAOYSA-N
XLogP1.73
TPSA96.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 6-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile (CID 56718011) is 6-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile is N#Cc1cc2c(=O)n(CCCn3nccc3C3CC3)ccc2[nH]c1=O.
What is the InChIKey of 6-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is GLXUAORHKCDLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c19-11-13-10-14-15(21-17(13)24)5-9-22(18(14)25)7-1-8-23-16(4-6-20-23)12-2-3-12/h4-6,9-10,12H,1-3,7-8H2,(H,21,24).
What are the key properties of 6-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
6-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 335.37 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 56718011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).