6-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile

C17H13N5O3 — CID 91625148

IUPAC6-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2c([nH]c1=O)CCN(C(=O)c1cc(-c3ccco3)[nH]n1)C2
InChIInChI=1S/C17H13N5O3/c18-8-10-6-11-9-22(4-3-12(11)19-16(10)23)17(24)14-7-13(20-21-14)15-2-1-5-25-15/h1-2,5-7H,3-4,9H2,(H,19,23)(H,20,21)
InChIKeyZRQUEWDAOMVEHZ-UHFFFAOYSA-N
MW335.32 g/mol
LogP1.43
Rot. Bonds2

About 6-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile

6-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile (PubChem CID 91625148) has the molecular formula C17H13N5O3 and a molecular weight of 335.32 g/mol. Its IUPAC name is 6-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
PubChem CID91625148
Molecular FormulaC17H13N5O3
Molecular Weight335.32 g/mol
Exact Mass335.10
IUPAC Name6-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2c([nH]c1=O)CCN(C(=O)c1cc(-c3ccco3)[nH]n1)C2
InChIInChI=1S/C17H13N5O3/c18-8-10-6-11-9-22(4-3-12(11)19-16(10)23)17(24)14-7-13(20-21-14)15-2-1-5-25-15/h1-2,5-7H,3-4,9H2,(H,19,23)(H,20,21)
InChIKeyZRQUEWDAOMVEHZ-UHFFFAOYSA-N
XLogP1.43
TPSA118.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 71932996
6-(5-bromofuran-2-carbonyl)-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
CID 91625140
[5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 35554692
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 35555894
[5-(furan-2-yl)-1H-pyrazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 71801252
1,4-diazepan-1-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 119417177
(2-fluorophenyl)-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]methanone
CID 20910914
3-azabicyclo[4.1.0]heptan-3-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 166245024
1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118877
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 86985248
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 43056712
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 121154475

Frequently Asked Questions

What is the IUPAC name of 6-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 6-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile (CID 91625148) is 6-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile is N#Cc1cc2c([nH]c1=O)CCN(C(=O)c1cc(-c3ccco3)[nH]n1)C2.
What is the InChIKey of 6-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The InChIKey is ZRQUEWDAOMVEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3/c18-8-10-6-11-9-22(4-3-12(11)19-16(10)23)17(24)14-7-13(20-21-14)15-2-1-5-25-15/h1-2,5-7H,3-4,9H2,(H,19,23)(H,20,21).
What are the key properties of 6-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
6-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile has a molecular weight of 335.32 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 91625148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).