N,N-dimethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine

C17H16N4O — CID 156844574

IUPACN,N-dimethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
SMILESCN(C)c1ccc2c(n1)OCc1cc(-n3cccn3)ccc1-2
InChIInChI=1S/C17H16N4O/c1-20(2)16-7-6-15-14-5-4-13(21-9-3-8-18-21)10-12(14)11-22-17(15)19-16/h3-10H,11H2,1-2H3
InChIKeyXMIBWTVSOYMVAM-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.89
Rot. Bonds2

About N,N-dimethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine

N,N-dimethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine (PubChem CID 156844574) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N,N-dimethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
PubChem CID156844574
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN,N-dimethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine
SMILESCN(C)c1ccc2c(n1)OCc1cc(-n3cccn3)ccc1-2
InChIInChI=1S/C17H16N4O/c1-20(2)16-7-6-15-14-5-4-13(21-9-3-8-18-21)10-12(14)11-22-17(15)19-16/h3-10H,11H2,1-2H3
InChIKeyXMIBWTVSOYMVAM-UHFFFAOYSA-N
XLogP2.89
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine 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-(4-Methoxyphenyl)-5-(1-methyl-1H-pyrazol-4-yl)isoquinolin-3-amine
CID 73386762
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyridine
CID 118430565
3-(6-Methoxy-3-pyridyl)-5-(4-pyrazol-1-ylphenyl)pyridin-2-amine
CID 53312319
2-[6-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-pyridinyl]propan-2-ol
CID 118430402
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-4-methylpyridine
CID 118430457
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-methylpyridine
CID 118430463
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine
CID 118430491
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-propan-2-ylpyridine
CID 118430564
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyridine
CID 118430667
2-N-(3-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-4-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine
CID 142751238
4-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxy-N-(1-imino-3,3-dimethyl-2-benzofuran-5-yl)pyridin-2-amine
CID 155451155
7-[3-(4-fluoropiperidin-1-yl)propoxy]-2-methyl-4-(6-pyrazol-1-yl-3-pyridinyl)-3,4-dihydro-1H-isoquinoline
CID 57447828

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
The IUPAC name of N,N-dimethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine (CID 156844574) is N,N-dimethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine.
What is the SMILES notation for N,N-dimethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
The canonical SMILES for N,N-dimethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine is CN(C)c1ccc2c(n1)OCc1cc(-n3cccn3)ccc1-2.
What is the InChIKey of N,N-dimethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
The InChIKey is XMIBWTVSOYMVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-20(2)16-7-6-15-14-5-4-13(21-9-3-8-18-21)10-12(14)11-22-17(15)19-16/h3-10H,11H2,1-2H3.
What are the key properties of N,N-dimethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine?
N,N-dimethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine has a molecular weight of 292.34 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-pyrazol-1-yl-6H-isochromeno[3,4-b]pyridin-3-amine is sourced from PubChem (CID 156844574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).