10-[3-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propyl]-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

C21H20BrN9O — CID 10217705

IUPAC10-[3-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propyl]-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(cnn2CCCN2CCc3ncc(Br)cc3C2)c2nc(-c3ccco3)nn12
InChIInChI=1S/C21H20BrN9O/c22-14-9-13-12-29(7-4-16(13)24-10-14)5-2-6-30-19-15(11-25-30)20-26-18(17-3-1-8-32-17)28-31(20)21(23)27-19/h1,3,8-11H,2,4-7,12H2,(H2,23,27)
InChIKeyMYJQBZNAVVFDQQ-UHFFFAOYSA-N
MW494.36 g/mol
LogP2.92
Rot. Bonds5

About 10-[3-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propyl]-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-[3-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propyl]-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 10217705) has the molecular formula C21H20BrN9O and a molecular weight of 494.36 g/mol. Its IUPAC name is 10-[3-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propyl]-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-[3-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propyl]-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 CID10217705
Molecular FormulaC21H20BrN9O
Molecular Weight494.36 g/mol
Exact Mass493.10
IUPAC Name10-[3-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propyl]-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(cnn2CCCN2CCc3ncc(Br)cc3C2)c2nc(-c3ccco3)nn12
InChIInChI=1S/C21H20BrN9O/c22-14-9-13-12-29(7-4-16(13)24-10-14)5-2-6-30-19-15(11-25-30)20-26-18(17-3-1-8-32-17)28-31(20)21(23)27-19/h1,3,8-11H,2,4-7,12H2,(H2,23,27)
InChIKeyMYJQBZNAVVFDQQ-UHFFFAOYSA-N
XLogP2.92
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 10-[3-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propyl]-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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Related Compounds

2-(2-Furanyl)-7-(2-phenylethyl)-7H-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine
CID 176408
7H-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine, 2-(2-furanyl)-7-(3-(4-methoxyphenyl)propyl)-
CID 10668061
CID 9912318
CID 9912318
(11C)Sch 442416
CID 11794633
2-(2-Furanyl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 9798914
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-pyridin-4-ylurea;hydrochloride
CID 9887858
5-[[(4-Pyridyl)-amino]carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine
CID 9887859
8-(Furan-2-yl)-3-[2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 10203891
2-(Furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10216903
4-(Furan-2-yl)-11-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
CID 10246959
2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10737168
2-(furan-2-yl)-8-isopentyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10852506

Frequently Asked Questions

What is the IUPAC name of 10-[3-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propyl]-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-[3-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propyl]-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 10217705) is 10-[3-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propyl]-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-[3-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propyl]-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-[3-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propyl]-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(cnn2CCCN2CCc3ncc(Br)cc3C2)c2nc(-c3ccco3)nn12.
What is the InChIKey of 10-[3-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propyl]-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 MYJQBZNAVVFDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN9O/c22-14-9-13-12-29(7-4-16(13)24-10-14)5-2-6-30-19-15(11-25-30)20-26-18(17-3-1-8-32-17)28-31(20)21(23)27-19/h1,3,8-11H,2,4-7,12H2,(H2,23,27).
What are the key properties of 10-[3-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propyl]-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-[3-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propyl]-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 494.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propyl]-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 10217705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).