4-(furan-2-yl)-10-[2-[3-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

C23H25N9O3 — CID 10310914

IUPAC4-(furan-2-yl)-10-[2-[3-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
SMILESCOCCOc1cnc2c(c1)CN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)CC2
InChIInChI=1S/C23H25N9O3/c1-33-9-10-34-16-11-15-14-30(5-4-18(15)25-12-16)6-7-31-21-17(13-26-31)22-27-20(19-3-2-8-35-19)29-32(22)23(24)28-21/h2-3,8,11-13H,4-7,9-10,14H2,1H3,(H2,24,28)
InChIKeyWTVGRQMKZKEDRJ-UHFFFAOYSA-N
MW475.51 g/mol
LogP1.79
Rot. Bonds8

About 4-(furan-2-yl)-10-[2-[3-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

4-(furan-2-yl)-10-[2-[3-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (PubChem CID 10310914) has the molecular formula C23H25N9O3 and a molecular weight of 475.51 g/mol. Its IUPAC name is 4-(furan-2-yl)-10-[2-[3-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-10-[2-[3-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
PubChem CID10310914
Molecular FormulaC23H25N9O3
Molecular Weight475.51 g/mol
Exact Mass475.21
IUPAC Name4-(furan-2-yl)-10-[2-[3-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
SMILESCOCCOc1cnc2c(c1)CN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)CC2
InChIInChI=1S/C23H25N9O3/c1-33-9-10-34-16-11-15-14-30(5-4-18(15)25-12-16)6-7-31-21-17(13-26-31)22-27-20(19-3-2-8-35-19)29-32(22)23(24)28-21/h2-3,8,11-13H,4-7,9-10,14H2,1H3,(H2,24,28)
InChIKeyWTVGRQMKZKEDRJ-UHFFFAOYSA-N
XLogP1.79
TPSA134.65 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.51
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(furan-2-yl)-10-[2-[3-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-10-[2-[3-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
The IUPAC name of 4-(furan-2-yl)-10-[2-[3-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (CID 10310914) is 4-(furan-2-yl)-10-[2-[3-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine.
What is the SMILES notation for 4-(furan-2-yl)-10-[2-[3-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
The canonical SMILES for 4-(furan-2-yl)-10-[2-[3-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine is COCCOc1cnc2c(c1)CN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)CC2.
What is the InChIKey of 4-(furan-2-yl)-10-[2-[3-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
The InChIKey is WTVGRQMKZKEDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9O3/c1-33-9-10-34-16-11-15-14-30(5-4-18(15)25-12-16)6-7-31-21-17(13-26-31)22-27-20(19-3-2-8-35-19)29-32(22)23(24)28-21/h2-3,8,11-13H,4-7,9-10,14H2,1H3,(H2,24,28).
What are the key properties of 4-(furan-2-yl)-10-[2-[3-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
4-(furan-2-yl)-10-[2-[3-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine has a molecular weight of 475.51 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-10-[2-[3-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine is sourced from PubChem (CID 10310914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).