3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-cyclobutylbenzamide

C23H24N6O2 — CID 164525696

IUPAC3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-cyclobutylbenzamide
SMILESNc1nccc(-c2cnc(NCc3cccc(C(=O)NC4CCC4)c3)c3c2OCC3)n1
InChIInChI=1S/C23H24N6O2/c24-23-25-9-7-19(29-23)18-13-27-21(17-8-10-31-20(17)18)26-12-14-3-1-4-15(11-14)22(30)28-16-5-2-6-16/h1,3-4,7,9,11,13,16H,2,5-6,8,10,12H2,(H,26,27)(H,28,30)(H2,24,25,29)
InChIKeyWZAIHGSWUPZIQD-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.95
Rot. Bonds6

About 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-cyclobutylbenzamide

3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-cyclobutylbenzamide (PubChem CID 164525696) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-cyclobutylbenzamide.

Molecular Properties

Compound Name3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-cyclobutylbenzamide
PubChem CID164525696
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-cyclobutylbenzamide
SMILESNc1nccc(-c2cnc(NCc3cccc(C(=O)NC4CCC4)c3)c3c2OCC3)n1
InChIInChI=1S/C23H24N6O2/c24-23-25-9-7-19(29-23)18-13-27-21(17-8-10-31-20(17)18)26-12-14-3-1-4-15(11-14)22(30)28-16-5-2-6-16/h1,3-4,7,9,11,13,16H,2,5-6,8,10,12H2,(H,26,27)(H,28,30)(H2,24,25,29)
InChIKeyWZAIHGSWUPZIQD-UHFFFAOYSA-N
XLogP2.95
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-cyclobutylbenzamide 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

3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 164525739
3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-(5-piperidin-4-yloxy-2-pyridinyl)benzamide
CID 164526089
5-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-2-fluorobenzoic acid
CID 171055977
3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-[5-(2-methylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 175462324
tert-butyl 4-[6-[[3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzoyl]amino]-3-pyridinyl]-1,4-diazepane-1-carboxylate
CID 171056000
5-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-2-fluoro-N-(3-methoxypropyl)benzamide
CID 164525682
N-(1-benzylpiperidin-4-yl)-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide
CID 164526483
N-(3-fluoropropyl)-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide
CID 164526335
methyl 3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzoate
CID 164526399
N-methyl-3-[[[7-(1,3-thiazol-5-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide
CID 164526471
3-[[[7-[(E,4Z)-4-(1-aminoethenylimino)but-2-en-2-yl]-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-[3-(oxetan-3-yl)-3-azaspiro[5.5]undecan-9-yl]benzamide
CID 168933048
N-[(4-methylmorpholin-2-yl)methyl]-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide
CID 164526355

Frequently Asked Questions

What is the IUPAC name of 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-cyclobutylbenzamide?
The IUPAC name of 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-cyclobutylbenzamide (CID 164525696) is 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-cyclobutylbenzamide.
What is the SMILES notation for 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-cyclobutylbenzamide?
The canonical SMILES for 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-cyclobutylbenzamide is Nc1nccc(-c2cnc(NCc3cccc(C(=O)NC4CCC4)c3)c3c2OCC3)n1.
What is the InChIKey of 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-cyclobutylbenzamide?
The InChIKey is WZAIHGSWUPZIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c24-23-25-9-7-19(29-23)18-13-27-21(17-8-10-31-20(17)18)26-12-14-3-1-4-15(11-14)22(30)28-16-5-2-6-16/h1,3-4,7,9,11,13,16H,2,5-6,8,10,12H2,(H,26,27)(H,28,30)(H2,24,25,29).
What are the key properties of 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-cyclobutylbenzamide?
3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-cyclobutylbenzamide has a molecular weight of 416.49 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-cyclobutylbenzamide is sourced from PubChem (CID 164525696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).