2-(1-methylazepan-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide

C24H26N6O2 — CID 142575209

IUPAC2-(1-methylazepan-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide
SMILESCN1CCCC(c2ncc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)o2)CC1
InChIInChI=1S/C24H26N6O2/c1-29-8-3-4-16(7-9-29)24-26-14-21(32-24)23(31)28-22-11-19-10-17(5-6-18(19)12-25-22)20-13-27-30(2)15-20/h5-6,10-16H,3-4,7-9H2,1-2H3,(H,25,28,31)
InChIKeyYBCFUDYADDNCKP-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.07
Rot. Bonds4

About 2-(1-methylazepan-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide

2-(1-methylazepan-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide (PubChem CID 142575209) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-(1-methylazepan-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-(1-methylazepan-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide
PubChem CID142575209
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name2-(1-methylazepan-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide
SMILESCN1CCCC(c2ncc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)o2)CC1
InChIInChI=1S/C24H26N6O2/c1-29-8-3-4-16(7-9-29)24-26-14-21(32-24)23(31)28-22-11-19-10-17(5-6-18(19)12-25-22)20-13-27-30(2)15-20/h5-6,10-16H,3-4,7-9H2,1-2H3,(H,25,28,31)
InChIKeyYBCFUDYADDNCKP-UHFFFAOYSA-N
XLogP4.07
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1-methylazepan-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide
CID 132056019
N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 138585655
2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide
CID 146617128
US10899753, Example 3
CID 150636978
1-(1,3-oxazole-2-carbonyl)-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]piperidine-4-carboxamide
CID 135254277
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide
CID 138585715
1-[2-(4-Methylpiperazin-1-yl)-1,3-oxazol-5-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 147861601
N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]-2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboxamide
CID 155061484
2-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide
CID 156171642
1-(2-Tert-butyl-1,3-oxazol-5-yl)-3-[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one
CID 157069908

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylazepan-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-(1-methylazepan-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide (CID 142575209) is 2-(1-methylazepan-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-(1-methylazepan-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-(1-methylazepan-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide is CN1CCCC(c2ncc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)o2)CC1.
What is the InChIKey of 2-(1-methylazepan-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is YBCFUDYADDNCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-29-8-3-4-16(7-9-29)24-26-14-21(32-24)23(31)28-22-11-19-10-17(5-6-18(19)12-25-22)20-13-27-30(2)15-20/h5-6,10-16H,3-4,7-9H2,1-2H3,(H,25,28,31).
What are the key properties of 2-(1-methylazepan-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide?
2-(1-methylazepan-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylazepan-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 142575209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).