(4R)-4-benzyl-10-phenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene

C23H23N5O — CID 15667142

IUPAC(4R)-4-benzyl-10-phenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene
SMILESCCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](Cc3ccccc3)CN12
InChIInChI=1S/C23H23N5O/c1-2-13-29-23-26-22-20(15-24-28(22)19-11-7-4-8-12-19)21-25-18(16-27(21)23)14-17-9-5-3-6-10-17/h3-12,15,18H,2,13-14,16H2,1H3/t18-/m1/s1
InChIKeyIVSSCLNOPSKRLX-GOSISDBHSA-N
MW385.47 g/mol
LogP3.97
Rot. Bonds5

About (4R)-4-benzyl-10-phenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene

(4R)-4-benzyl-10-phenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene (PubChem CID 15667142) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is (4R)-4-benzyl-10-phenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene.

Molecular Properties

Compound Name(4R)-4-benzyl-10-phenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene
PubChem CID15667142
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name(4R)-4-benzyl-10-phenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene
SMILESCCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](Cc3ccccc3)CN12
InChIInChI=1S/C23H23N5O/c1-2-13-29-23-26-22-20(15-24-28(22)19-11-7-4-8-12-19)21-25-18(16-27(21)23)14-17-9-5-3-6-10-17/h3-12,15,18H,2,13-14,16H2,1H3/t18-/m1/s1
InChIKeyIVSSCLNOPSKRLX-GOSISDBHSA-N
XLogP3.97
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-10-phenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene?
The IUPAC name of (4R)-4-benzyl-10-phenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene (CID 15667142) is (4R)-4-benzyl-10-phenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene.
What is the SMILES notation for (4R)-4-benzyl-10-phenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene?
The canonical SMILES for (4R)-4-benzyl-10-phenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene is CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](Cc3ccccc3)CN12.
What is the InChIKey of (4R)-4-benzyl-10-phenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene?
The InChIKey is IVSSCLNOPSKRLX-GOSISDBHSA-N. The full InChI is InChI=1S/C23H23N5O/c1-2-13-29-23-26-22-20(15-24-28(22)19-11-7-4-8-12-19)21-25-18(16-27(21)23)14-17-9-5-3-6-10-17/h3-12,15,18H,2,13-14,16H2,1H3/t18-/m1/s1.
What are the key properties of (4R)-4-benzyl-10-phenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene?
(4R)-4-benzyl-10-phenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene has a molecular weight of 385.47 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-10-phenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene is sourced from PubChem (CID 15667142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).