7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine

C21H17N5 — CID 142445182

IUPAC7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
SMILESc1cc2[nH]ncc2cc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2
InChIInChI=1S/C21H17N5/c1-2-4-15-14(3-1)20-16-11-23-26-18(16)7-8-19(20)24-21(15)12-5-6-17-13(9-12)10-22-25-17/h5-11H,1-4H2,(H,22,25)(H,23,26)
InChIKeyBIJWVFOPLJTMGG-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.53
Rot. Bonds1

About 7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine

7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine (PubChem CID 142445182) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is 7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine.

Molecular Properties

Compound Name7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
PubChem CID142445182
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC Name7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
SMILESc1cc2[nH]ncc2cc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2
InChIInChI=1S/C21H17N5/c1-2-4-15-14(3-1)20-16-11-23-26-18(16)7-8-19(20)24-21(15)12-5-6-17-13(9-12)10-22-25-17/h5-11H,1-4H2,(H,22,25)(H,23,26)
InChIKeyBIJWVFOPLJTMGG-UHFFFAOYSA-N
XLogP4.53
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The IUPAC name of 7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine (CID 142445182) is 7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine.
What is the SMILES notation for 7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The canonical SMILES for 7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine is c1cc2[nH]ncc2cc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.
What is the InChIKey of 7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The InChIKey is BIJWVFOPLJTMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5/c1-2-4-15-14(3-1)20-16-11-23-26-18(16)7-8-19(20)24-21(15)12-5-6-17-13(9-12)10-22-25-17/h5-11H,1-4H2,(H,22,25)(H,23,26).
What are the key properties of 7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine has a molecular weight of 339.40 g/mol, XLogP of 4.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine is sourced from PubChem (CID 142445182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).