1'-[3-(methylamino)isoquinoline-7-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one

C24H28N6O2 — CID 91937959

IUPAC1'-[3-(methylamino)isoquinoline-7-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCNc1cc2ccc(C(=O)N3CCC4(CC3)Cc3cnn(C(C)C)c3C(=O)N4)cc2cn1
InChIInChI=1S/C24H28N6O2/c1-15(2)30-21-19(14-27-30)12-24(28-22(21)31)6-8-29(9-7-24)23(32)17-5-4-16-11-20(25-3)26-13-18(16)10-17/h4-5,10-11,13-15H,6-9,12H2,1-3H3,(H,25,26)(H,28,31)
InChIKeyYIDPMDKTAUFPNY-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.01
Rot. Bonds3

About 1'-[3-(methylamino)isoquinoline-7-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one

1'-[3-(methylamino)isoquinoline-7-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one (PubChem CID 91937959) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 1'-[3-(methylamino)isoquinoline-7-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name1'-[3-(methylamino)isoquinoline-7-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
PubChem CID91937959
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name1'-[3-(methylamino)isoquinoline-7-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCNc1cc2ccc(C(=O)N3CCC4(CC3)Cc3cnn(C(C)C)c3C(=O)N4)cc2cn1
InChIInChI=1S/C24H28N6O2/c1-15(2)30-21-19(14-27-30)12-24(28-22(21)31)6-8-29(9-7-24)23(32)17-5-4-16-11-20(25-3)26-13-18(16)10-17/h4-5,10-11,13-15H,6-9,12H2,1-3H3,(H,25,26)(H,28,31)
InChIKeyYIDPMDKTAUFPNY-UHFFFAOYSA-N
XLogP3.01
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1'-[3-(methylamino)isoquinoline-7-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-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 1'-[3-(methylamino)isoquinoline-7-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The IUPAC name of 1'-[3-(methylamino)isoquinoline-7-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one (CID 91937959) is 1'-[3-(methylamino)isoquinoline-7-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one.
What is the SMILES notation for 1'-[3-(methylamino)isoquinoline-7-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The canonical SMILES for 1'-[3-(methylamino)isoquinoline-7-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one is CNc1cc2ccc(C(=O)N3CCC4(CC3)Cc3cnn(C(C)C)c3C(=O)N4)cc2cn1.
What is the InChIKey of 1'-[3-(methylamino)isoquinoline-7-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The InChIKey is YIDPMDKTAUFPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-15(2)30-21-19(14-27-30)12-24(28-22(21)31)6-8-29(9-7-24)23(32)17-5-4-16-11-20(25-3)26-13-18(16)10-17/h4-5,10-11,13-15H,6-9,12H2,1-3H3,(H,25,26)(H,28,31).
What are the key properties of 1'-[3-(methylamino)isoquinoline-7-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
1'-[3-(methylamino)isoquinoline-7-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one has a molecular weight of 432.53 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-(methylamino)isoquinoline-7-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one is sourced from PubChem (CID 91937959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).