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

C20H18BrN9O — CID 10195616

IUPAC10-[2-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
SMILESNc1nc2c(cnn2CCN2CCc3ncc(Br)cc3C2)c2nc(-c3ccco3)nn12
InChIInChI=1S/C20H18BrN9O/c21-13-8-12-11-28(4-3-15(12)23-9-13)5-6-29-18-14(10-24-29)19-25-17(16-2-1-7-31-16)27-30(19)20(22)26-18/h1-2,7-10H,3-6,11H2,(H2,22,26)
InChIKeyYHFOKFNTOSKBLQ-UHFFFAOYSA-N
MW480.33 g/mol
LogP2.53
Rot. Bonds4

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

10-[2-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (PubChem CID 10195616) has the molecular formula C20H18BrN9O and a molecular weight of 480.33 g/mol. Its IUPAC name is 10-[2-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-4-(furan-2-yl)-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 Name10-[2-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
PubChem CID10195616
Molecular FormulaC20H18BrN9O
Molecular Weight480.33 g/mol
Exact Mass479.08
IUPAC Name10-[2-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
SMILESNc1nc2c(cnn2CCN2CCc3ncc(Br)cc3C2)c2nc(-c3ccco3)nn12
InChIInChI=1S/C20H18BrN9O/c21-13-8-12-11-28(4-3-15(12)23-9-13)5-6-29-18-14(10-24-29)19-25-17(16-2-1-7-31-16)27-30(19)20(22)26-18/h1-2,7-10H,3-6,11H2,(H2,22,26)
InChIKeyYHFOKFNTOSKBLQ-UHFFFAOYSA-N
XLogP2.53
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 10-[2-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-4-(furan-2-yl)-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 10-[2-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-4-(furan-2-yl)-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 10-[2-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (CID 10195616) is 10-[2-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-4-(furan-2-yl)-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 10-[2-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-4-(furan-2-yl)-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 10-[2-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine is Nc1nc2c(cnn2CCN2CCc3ncc(Br)cc3C2)c2nc(-c3ccco3)nn12.
What is the InChIKey of 10-[2-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-4-(furan-2-yl)-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 YHFOKFNTOSKBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN9O/c21-13-8-12-11-28(4-3-15(12)23-9-13)5-6-29-18-14(10-24-29)19-25-17(16-2-1-7-31-16)27-30(19)20(22)26-18/h1-2,7-10H,3-6,11H2,(H2,22,26).
What are the key properties of 10-[2-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
10-[2-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-4-(furan-2-yl)-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 480.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-4-(furan-2-yl)-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 10195616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).