1-[6-[4-[2-[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]ethyl]piperazin-1-yl]-2-pyridinyl]ethanol

C23H26N10O2 — CID 59295855

IUPAC1-[6-[4-[2-[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]ethyl]piperazin-1-yl]-2-pyridinyl]ethanol
SMILESCC(O)c1cccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)n1
InChIInChI=1S/C23H26N10O2/c1-15(34)17-4-2-6-19(26-17)31-10-7-30(8-11-31)9-12-32-21-16(14-25-32)22-27-20(18-5-3-13-35-18)29-33(22)23(24)28-21/h2-6,13-15,34H,7-12H2,1H3,(H2,24,28)
InChIKeyCUOPRFKLCOJCOS-UHFFFAOYSA-N
MW474.53 g/mol
LogP1.59
Rot. Bonds6

About 1-[6-[4-[2-[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]ethyl]piperazin-1-yl]-2-pyridinyl]ethanol

1-[6-[4-[2-[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]ethyl]piperazin-1-yl]-2-pyridinyl]ethanol (PubChem CID 59295855) has the molecular formula C23H26N10O2 and a molecular weight of 474.53 g/mol. Its IUPAC name is 1-[6-[4-[2-[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]ethyl]piperazin-1-yl]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[6-[4-[2-[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]ethyl]piperazin-1-yl]-2-pyridinyl]ethanol
PubChem CID59295855
Molecular FormulaC23H26N10O2
Molecular Weight474.53 g/mol
Exact Mass474.22
IUPAC Name1-[6-[4-[2-[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]ethyl]piperazin-1-yl]-2-pyridinyl]ethanol
SMILESCC(O)c1cccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)n1
InChIInChI=1S/C23H26N10O2/c1-15(34)17-4-2-6-19(26-17)31-10-7-30(8-11-31)9-12-32-21-16(14-25-32)22-27-20(18-5-3-13-35-18)29-33(22)23(24)28-21/h2-6,13-15,34H,7-12H2,1H3,(H2,24,28)
InChIKeyCUOPRFKLCOJCOS-UHFFFAOYSA-N
XLogP1.59
TPSA139.66 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.53
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 1-[6-[4-[2-[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]ethyl]piperazin-1-yl]-2-pyridinyl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[2-[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]ethyl]piperazin-1-yl]-2-pyridinyl]ethanol?
The IUPAC name of 1-[6-[4-[2-[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]ethyl]piperazin-1-yl]-2-pyridinyl]ethanol (CID 59295855) is 1-[6-[4-[2-[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]ethyl]piperazin-1-yl]-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[6-[4-[2-[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]ethyl]piperazin-1-yl]-2-pyridinyl]ethanol?
The canonical SMILES for 1-[6-[4-[2-[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]ethyl]piperazin-1-yl]-2-pyridinyl]ethanol is CC(O)c1cccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)n1.
What is the InChIKey of 1-[6-[4-[2-[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]ethyl]piperazin-1-yl]-2-pyridinyl]ethanol?
The InChIKey is CUOPRFKLCOJCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N10O2/c1-15(34)17-4-2-6-19(26-17)31-10-7-30(8-11-31)9-12-32-21-16(14-25-32)22-27-20(18-5-3-13-35-18)29-33(22)23(24)28-21/h2-6,13-15,34H,7-12H2,1H3,(H2,24,28).
What are the key properties of 1-[6-[4-[2-[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]ethyl]piperazin-1-yl]-2-pyridinyl]ethanol?
1-[6-[4-[2-[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]ethyl]piperazin-1-yl]-2-pyridinyl]ethanol has a molecular weight of 474.53 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-[2-[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]ethyl]piperazin-1-yl]-2-pyridinyl]ethanol is sourced from PubChem (CID 59295855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).