7-[(E)-2-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine

C23H29N5 — CID 166867848

IUPAC7-[(E)-2-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine
SMILESC=CC1NN=CC1/C=C/C1NC2=C(C3=C1CCCC3)C1N=C(C)N(C)C1C=C2
InChIInChI=1S/C23H29N5/c1-4-18-15(13-24-27-18)9-10-19-16-7-5-6-8-17(16)22-20(26-19)11-12-21-23(22)25-14(2)28(21)3/h4,9-13,15,18-19,21,23,26-27H,1,5-8H2,2-3H3/b10-9+
InChIKeyNPOKTNFZJBJPSE-MDZDMXLPSA-N
MW375.52 g/mol
LogP3.07
Rot. Bonds3

About 7-[(E)-2-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine

7-[(E)-2-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine (PubChem CID 166867848) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is 7-[(E)-2-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine.

Molecular Properties

Compound Name7-[(E)-2-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine
PubChem CID166867848
Molecular FormulaC23H29N5
Molecular Weight375.52 g/mol
Exact Mass375.24
IUPAC Name7-[(E)-2-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine
SMILESC=CC1NN=CC1/C=C/C1NC2=C(C3=C1CCCC3)C1N=C(C)N(C)C1C=C2
InChIInChI=1S/C23H29N5/c1-4-18-15(13-24-27-18)9-10-19-16-7-5-6-8-17(16)22-20(26-19)11-12-21-23(22)25-14(2)28(21)3/h4,9-13,15,18-19,21,23,26-27H,1,5-8H2,2-3H3/b10-9+
InChIKeyNPOKTNFZJBJPSE-MDZDMXLPSA-N
XLogP3.07
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-[(E)-2-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(E)-2-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine?
The IUPAC name of 7-[(E)-2-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine (CID 166867848) is 7-[(E)-2-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine.
What is the SMILES notation for 7-[(E)-2-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine?
The canonical SMILES for 7-[(E)-2-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine is C=CC1NN=CC1/C=C/C1NC2=C(C3=C1CCCC3)C1N=C(C)N(C)C1C=C2.
What is the InChIKey of 7-[(E)-2-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine?
The InChIKey is NPOKTNFZJBJPSE-MDZDMXLPSA-N. The full InChI is InChI=1S/C23H29N5/c1-4-18-15(13-24-27-18)9-10-19-16-7-5-6-8-17(16)22-20(26-19)11-12-21-23(22)25-14(2)28(21)3/h4,9-13,15,18-19,21,23,26-27H,1,5-8H2,2-3H3/b10-9+.
What are the key properties of 7-[(E)-2-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine?
7-[(E)-2-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine has a molecular weight of 375.52 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-2-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine is sourced from PubChem (CID 166867848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).