7-thiophen-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine

C18H15N3S — CID 155515605

IUPAC7-thiophen-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
SMILESc1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cs1
InChIInChI=1S/C18H15N3S/c1-2-4-13-12(3-1)17-14-9-19-21-15(14)5-6-16(17)20-18(13)11-7-8-22-10-11/h5-10H,1-4H2,(H,19,21)
InChIKeyWEVQTTVCMOMHBC-UHFFFAOYSA-N
MW305.41 g/mol
LogP4.72
Rot. Bonds1

About 7-thiophen-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine

7-thiophen-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine (PubChem CID 155515605) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is 7-thiophen-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine.

Molecular Properties

Compound Name7-thiophen-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
PubChem CID155515605
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC Name7-thiophen-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
SMILESc1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cs1
InChIInChI=1S/C18H15N3S/c1-2-4-13-12(3-1)17-14-9-19-21-15(14)5-6-16(17)20-18(13)11-7-8-22-10-11/h5-10H,1-4H2,(H,19,21)
InChIKeyWEVQTTVCMOMHBC-UHFFFAOYSA-N
XLogP4.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-thiophen-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The IUPAC name of 7-thiophen-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine (CID 155515605) is 7-thiophen-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine.
What is the SMILES notation for 7-thiophen-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The canonical SMILES for 7-thiophen-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine is c1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cs1.
What is the InChIKey of 7-thiophen-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The InChIKey is WEVQTTVCMOMHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S/c1-2-4-13-12(3-1)17-14-9-19-21-15(14)5-6-16(17)20-18(13)11-7-8-22-10-11/h5-10H,1-4H2,(H,19,21).
What are the key properties of 7-thiophen-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
7-thiophen-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine has a molecular weight of 305.41 g/mol, XLogP of 4.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thiophen-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine is sourced from PubChem (CID 155515605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).