[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(5-methylpyrazin-2-yl)methanone

C18H20N4O2 — CID 91917934

IUPAC[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCc3nc(OCC4CC4)ccc3C2)cn1
InChIInChI=1S/C18H20N4O2/c1-12-8-20-16(9-19-12)18(23)22-7-6-15-14(10-22)4-5-17(21-15)24-11-13-2-3-13/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3
InChIKeyZGIIMHCYUQMKFN-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.17
Rot. Bonds4

About [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(5-methylpyrazin-2-yl)methanone

[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 91917934) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID91917934
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCc3nc(OCC4CC4)ccc3C2)cn1
InChIInChI=1S/C18H20N4O2/c1-12-8-20-16(9-19-12)18(23)22-7-6-15-14(10-22)4-5-17(21-15)24-11-13-2-3-13/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3
InChIKeyZGIIMHCYUQMKFN-UHFFFAOYSA-N
XLogP2.17
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(5-methylpyrazin-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(5-methylpyrazin-2-yl)methanone (CID 91917934) is [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCc3nc(OCC4CC4)ccc3C2)cn1.
What is the InChIKey of [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is ZGIIMHCYUQMKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-8-20-16(9-19-12)18(23)22-7-6-15-14(10-22)4-5-17(21-15)24-11-13-2-3-13/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3.
What are the key properties of [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(5-methylpyrazin-2-yl)methanone?
[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 324.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 91917934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).