6-chloro-2-(2-cyclopropylpyrazole-3-carbonyl)-1'-isoquinolin-4-ylspiro[1,3-dihydroisoquinoline-4,3'-pyrrolidine]-2'-one

C28H24ClN5O2 — CID 169423426

IUPAC6-chloro-2-(2-cyclopropylpyrazole-3-carbonyl)-1'-isoquinolin-4-ylspiro[1,3-dihydroisoquinoline-4,3'-pyrrolidine]-2'-one
SMILESO=C(c1ccnn1C1CC1)N1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1
InChIInChI=1S/C28H24ClN5O2/c29-20-6-5-19-16-32(26(35)24-9-11-31-34(24)21-7-8-21)17-28(23(19)13-20)10-12-33(27(28)36)25-15-30-14-18-3-1-2-4-22(18)25/h1-6,9,11,13-15,21H,7-8,10,12,16-17H2
InChIKeyZXCFTZVBQHSKKU-UHFFFAOYSA-N
MW497.99 g/mol
LogP4.75
Rot. Bonds3

About 6-chloro-2-(2-cyclopropylpyrazole-3-carbonyl)-1'-isoquinolin-4-ylspiro[1,3-dihydroisoquinoline-4,3'-pyrrolidine]-2'-one

6-chloro-2-(2-cyclopropylpyrazole-3-carbonyl)-1'-isoquinolin-4-ylspiro[1,3-dihydroisoquinoline-4,3'-pyrrolidine]-2'-one (PubChem CID 169423426) has the molecular formula C28H24ClN5O2 and a molecular weight of 497.99 g/mol. Its IUPAC name is 6-chloro-2-(2-cyclopropylpyrazole-3-carbonyl)-1'-isoquinolin-4-ylspiro[1,3-dihydroisoquinoline-4,3'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name6-chloro-2-(2-cyclopropylpyrazole-3-carbonyl)-1'-isoquinolin-4-ylspiro[1,3-dihydroisoquinoline-4,3'-pyrrolidine]-2'-one
PubChem CID169423426
Molecular FormulaC28H24ClN5O2
Molecular Weight497.99 g/mol
Exact Mass497.16
IUPAC Name6-chloro-2-(2-cyclopropylpyrazole-3-carbonyl)-1'-isoquinolin-4-ylspiro[1,3-dihydroisoquinoline-4,3'-pyrrolidine]-2'-one
SMILESO=C(c1ccnn1C1CC1)N1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1
InChIInChI=1S/C28H24ClN5O2/c29-20-6-5-19-16-32(26(35)24-9-11-31-34(24)21-7-8-21)17-28(23(19)13-20)10-12-33(27(28)36)25-15-30-14-18-3-1-2-4-22(18)25/h1-6,9,11,13-15,21H,7-8,10,12,16-17H2
InChIKeyZXCFTZVBQHSKKU-UHFFFAOYSA-N
XLogP4.75
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.99
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-(2-cyclopropylpyrazole-3-carbonyl)-1'-isoquinolin-4-ylspiro[1,3-dihydroisoquinoline-4,3'-pyrrolidine]-2'-one 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 6-chloro-2-(2-cyclopropylpyrazole-3-carbonyl)-1'-isoquinolin-4-ylspiro[1,3-dihydroisoquinoline-4,3'-pyrrolidine]-2'-one?
The IUPAC name of 6-chloro-2-(2-cyclopropylpyrazole-3-carbonyl)-1'-isoquinolin-4-ylspiro[1,3-dihydroisoquinoline-4,3'-pyrrolidine]-2'-one (CID 169423426) is 6-chloro-2-(2-cyclopropylpyrazole-3-carbonyl)-1'-isoquinolin-4-ylspiro[1,3-dihydroisoquinoline-4,3'-pyrrolidine]-2'-one.
What is the SMILES notation for 6-chloro-2-(2-cyclopropylpyrazole-3-carbonyl)-1'-isoquinolin-4-ylspiro[1,3-dihydroisoquinoline-4,3'-pyrrolidine]-2'-one?
The canonical SMILES for 6-chloro-2-(2-cyclopropylpyrazole-3-carbonyl)-1'-isoquinolin-4-ylspiro[1,3-dihydroisoquinoline-4,3'-pyrrolidine]-2'-one is O=C(c1ccnn1C1CC1)N1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1.
What is the InChIKey of 6-chloro-2-(2-cyclopropylpyrazole-3-carbonyl)-1'-isoquinolin-4-ylspiro[1,3-dihydroisoquinoline-4,3'-pyrrolidine]-2'-one?
The InChIKey is ZXCFTZVBQHSKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN5O2/c29-20-6-5-19-16-32(26(35)24-9-11-31-34(24)21-7-8-21)17-28(23(19)13-20)10-12-33(27(28)36)25-15-30-14-18-3-1-2-4-22(18)25/h1-6,9,11,13-15,21H,7-8,10,12,16-17H2.
What are the key properties of 6-chloro-2-(2-cyclopropylpyrazole-3-carbonyl)-1'-isoquinolin-4-ylspiro[1,3-dihydroisoquinoline-4,3'-pyrrolidine]-2'-one?
6-chloro-2-(2-cyclopropylpyrazole-3-carbonyl)-1'-isoquinolin-4-ylspiro[1,3-dihydroisoquinoline-4,3'-pyrrolidine]-2'-one has a molecular weight of 497.99 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-cyclopropylpyrazole-3-carbonyl)-1'-isoquinolin-4-ylspiro[1,3-dihydroisoquinoline-4,3'-pyrrolidine]-2'-one is sourced from PubChem (CID 169423426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).