(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(2-methylpyrazol-3-yl)methanone

C15H18N4O2 — CID 110876371

IUPAC(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(2-methylpyrazol-3-yl)methanone
SMILESCCOc1ccc2c(n1)CCN(C(=O)c1ccnn1C)C2
InChIInChI=1S/C15H18N4O2/c1-3-21-14-5-4-11-10-19(9-7-12(11)17-14)15(20)13-6-8-16-18(13)2/h4-6,8H,3,7,9-10H2,1-2H3
InChIKeyKDMLBDFGCWJCIT-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.41
Rot. Bonds3

About (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(2-methylpyrazol-3-yl)methanone

(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(2-methylpyrazol-3-yl)methanone (PubChem CID 110876371) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(2-methylpyrazol-3-yl)methanone
PubChem CID110876371
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(2-methylpyrazol-3-yl)methanone
SMILESCCOc1ccc2c(n1)CCN(C(=O)c1ccnn1C)C2
InChIInChI=1S/C15H18N4O2/c1-3-21-14-5-4-11-10-19(9-7-12(11)17-14)15(20)13-6-8-16-18(13)2/h4-6,8H,3,7,9-10H2,1-2H3
InChIKeyKDMLBDFGCWJCIT-UHFFFAOYSA-N
XLogP1.41
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(2-ethylpyrazol-3-yl)methanone
CID 91917868
(2-ethylpyrazol-3-yl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 91917917
(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylphenyl)methanone
CID 91907650
2-(azepan-1-yl)-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 163339047
N-cyclopentyl-2-ethoxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 91917863
3-cyclopentyl-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 91917843
N-(2,4-dimethylphenyl)-2-ethoxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 91917861
1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-fluorophenyl)ethanone
CID 91917834
[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-3-ylmethanone
CID 91917893
2-(2-methylpyrazole-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997138
[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(5-methylpyrazin-2-yl)methanone
CID 91917934
(2-methylpyrazol-3-yl)-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 70769575

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(2-methylpyrazol-3-yl)methanone (CID 110876371) is (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(2-methylpyrazol-3-yl)methanone is CCOc1ccc2c(n1)CCN(C(=O)c1ccnn1C)C2.
What is the InChIKey of (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(2-methylpyrazol-3-yl)methanone?
The InChIKey is KDMLBDFGCWJCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-21-14-5-4-11-10-19(9-7-12(11)17-14)15(20)13-6-8-16-18(13)2/h4-6,8H,3,7,9-10H2,1-2H3.
What are the key properties of (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(2-methylpyrazol-3-yl)methanone?
(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(2-methylpyrazol-3-yl)methanone has a molecular weight of 286.34 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 110876371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).