N-cyclohexyl-3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide

C20H30N6O — CID 70756161

IUPACN-cyclohexyl-3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide
SMILESCn1ncc2c(NCCC(=O)NC3CCCCC3)nc(C3CCCC3)nc21
InChIInChI=1S/C20H30N6O/c1-26-20-16(13-22-26)19(24-18(25-20)14-7-5-6-8-14)21-12-11-17(27)23-15-9-3-2-4-10-15/h13-15H,2-12H2,1H3,(H,23,27)(H,21,24,25)
InChIKeyXPBYVWXVKMHSFX-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.27
Rot. Bonds6

About N-cyclohexyl-3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide

N-cyclohexyl-3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide (PubChem CID 70756161) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is N-cyclohexyl-3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide
PubChem CID70756161
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC NameN-cyclohexyl-3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide
SMILESCn1ncc2c(NCCC(=O)NC3CCCCC3)nc(C3CCCC3)nc21
InChIInChI=1S/C20H30N6O/c1-26-20-16(13-22-26)19(24-18(25-20)14-7-5-6-8-14)21-12-11-17(27)23-15-9-3-2-4-10-15/h13-15H,2-12H2,1H3,(H,23,27)(H,21,24,25)
InChIKeyXPBYVWXVKMHSFX-UHFFFAOYSA-N
XLogP3.27
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide 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

6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 171989089
6-cyclopentyl-N-(2-ethylsulfonylethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56902966
N'-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-methylpropane-1,3-diamine
CID 56910169
6-cyclopentyl-N-(2-ethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70737816
6-cyclopentyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56899071
1-[3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]-6-methylpyridin-2-one
CID 56888522
N-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanamide
CID 112730894
6-cyclopentyl-1-methyl-N-[2-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95713175
6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56889372
N-cyclopentyl-3-[(3,6-dimethylpyrazin-2-yl)amino]propanamide
CID 91648208
(2R)-1-N-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2-N,2-N-dimethylpentane-1,2-diamine
CID 95729990
N-cycloheptyl-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 19617086

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-cyclohexyl-3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide (CID 70756161) is N-cyclohexyl-3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide is Cn1ncc2c(NCCC(=O)NC3CCCCC3)nc(C3CCCC3)nc21.
What is the InChIKey of N-cyclohexyl-3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide?
The InChIKey is XPBYVWXVKMHSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-26-20-16(13-22-26)19(24-18(25-20)14-7-5-6-8-14)21-12-11-17(27)23-15-9-3-2-4-10-15/h13-15H,2-12H2,1H3,(H,23,27)(H,21,24,25).
What are the key properties of N-cyclohexyl-3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide?
N-cyclohexyl-3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide has a molecular weight of 370.50 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 70756161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).