11-(furan-2-yl)-5-(2-phenylethyl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine

C19H16N6O — CID 153187767

IUPAC11-(furan-2-yl)-5-(2-phenylethyl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine
SMILESNc1nc2c(cnn2CCc2ccccc2)c2cc(-c3ccco3)nn12
InChIInChI=1S/C19H16N6O/c20-19-22-18-14(12-21-24(18)9-8-13-5-2-1-3-6-13)16-11-15(23-25(16)19)17-7-4-10-26-17/h1-7,10-12H,8-9H2,(H2,20,22)
InChIKeyWHKOJFGKQVTVRH-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.16
Rot. Bonds4

About 11-(furan-2-yl)-5-(2-phenylethyl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine

11-(furan-2-yl)-5-(2-phenylethyl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine (PubChem CID 153187767) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 11-(furan-2-yl)-5-(2-phenylethyl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine.

Molecular Properties

Compound Name11-(furan-2-yl)-5-(2-phenylethyl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine
PubChem CID153187767
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name11-(furan-2-yl)-5-(2-phenylethyl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine
SMILESNc1nc2c(cnn2CCc2ccccc2)c2cc(-c3ccco3)nn12
InChIInChI=1S/C19H16N6O/c20-19-22-18-14(12-21-24(18)9-8-13-5-2-1-3-6-13)16-11-15(23-25(16)19)17-7-4-10-26-17/h1-7,10-12H,8-9H2,(H2,20,22)
InChIKeyWHKOJFGKQVTVRH-UHFFFAOYSA-N
XLogP3.16
TPSA87.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 11-(furan-2-yl)-5-(2-phenylethyl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine with MolForge

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Related Compounds

11-(furan-2-yl)-3-(2-phenylethyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-8-amine
CID 57391694
4-(furan-2-yl)-10-[2-[4-(4-methoxyphenyl)phenyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 44568291
4-(furan-2-yl)-10-[2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 146271132
10-[2-(1,3-benzodioxol-5-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 21220572
10-[2-(1,3-dihydroisoindol-2-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 10126504
4-[4-[2-[8-amino-11-(furan-2-yl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-5-yl]ethyl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide
CID 146467579
2-[4-[3-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]propyl]phenoxy]acetic acid
CID 11015572
5-[2-[4-[2-fluoro-4-(2-methylsulfonylethoxy)phenyl]piperazin-1-yl]ethyl]-11-(furan-2-yl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine
CID 146468464
1-benzyl-3-(furan-2-yl)pyrazol-5-amine
CID 15858676
2-[5-[4-[2-[8-amino-11-(furan-2-yl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-5-yl]ethyl]piperazin-1-yl]-2,4-difluorophenoxy]-N-(2-morpholin-4-ylethyl)acetamide
CID 146467918
4-chloro-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 58316679
4-[3-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]propyl]benzenecarboximidamide
CID 10972594

Frequently Asked Questions

What is the IUPAC name of 11-(furan-2-yl)-5-(2-phenylethyl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine?
The IUPAC name of 11-(furan-2-yl)-5-(2-phenylethyl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine (CID 153187767) is 11-(furan-2-yl)-5-(2-phenylethyl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine.
What is the SMILES notation for 11-(furan-2-yl)-5-(2-phenylethyl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine?
The canonical SMILES for 11-(furan-2-yl)-5-(2-phenylethyl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine is Nc1nc2c(cnn2CCc2ccccc2)c2cc(-c3ccco3)nn12.
What is the InChIKey of 11-(furan-2-yl)-5-(2-phenylethyl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine?
The InChIKey is WHKOJFGKQVTVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c20-19-22-18-14(12-21-24(18)9-8-13-5-2-1-3-6-13)16-11-15(23-25(16)19)17-7-4-10-26-17/h1-7,10-12H,8-9H2,(H2,20,22).
What are the key properties of 11-(furan-2-yl)-5-(2-phenylethyl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine?
11-(furan-2-yl)-5-(2-phenylethyl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine has a molecular weight of 344.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(furan-2-yl)-5-(2-phenylethyl)-4,5,7,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-8-amine is sourced from PubChem (CID 153187767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).