1-[1-methyl-3-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C24H23N5O — CID 176984567

IUPAC1-[1-methyl-3-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C)nc5)ncc34)nn2C)C1
InChIInChI=1S/C24H23N5O/c1-15-7-8-18(12-25-15)22-11-17-5-4-6-19(20(17)13-26-22)24-21-14-29(16(2)30)10-9-23(21)28(3)27-24/h4-8,11-13H,9-10,14H2,1-3H3
InChIKeyPCOKRNFQRSKFOT-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.91
Rot. Bonds2

About 1-[1-methyl-3-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-methyl-3-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 176984567) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-[1-methyl-3-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-methyl-3-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID176984567
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name1-[1-methyl-3-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C)nc5)ncc34)nn2C)C1
InChIInChI=1S/C24H23N5O/c1-15-7-8-18(12-25-15)22-11-17-5-4-6-19(20(17)13-26-22)24-21-14-29(16(2)30)10-9-23(21)28(3)27-24/h4-8,11-13H,9-10,14H2,1-3H3
InChIKeyPCOKRNFQRSKFOT-UHFFFAOYSA-N
XLogP3.91
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-methyl-3-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone 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-[1-methyl-3-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-methyl-3-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 176984567) is 1-[1-methyl-3-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-methyl-3-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-methyl-3-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C)nc5)ncc34)nn2C)C1.
What is the InChIKey of 1-[1-methyl-3-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is PCOKRNFQRSKFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-15-7-8-18(12-25-15)22-11-17-5-4-6-19(20(17)13-26-22)24-21-14-29(16(2)30)10-9-23(21)28(3)27-24/h4-8,11-13H,9-10,14H2,1-3H3.
What are the key properties of 1-[1-methyl-3-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-methyl-3-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 397.48 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-3-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 176984567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).