N-cyclohexyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide

C18H27N7O — CID 35757393

IUPACN-cyclohexyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide
SMILESCc1nn(C)c2c(N3CCN(C(=O)NC4CCCCC4)CC3)ncnc12
InChIInChI=1S/C18H27N7O/c1-13-15-16(23(2)22-13)17(20-12-19-15)24-8-10-25(11-9-24)18(26)21-14-6-4-3-5-7-14/h12,14H,3-11H2,1-2H3,(H,21,26)
InChIKeyZTQCRZRHQIHRRJ-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.84
Rot. Bonds2

About N-cyclohexyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide

N-cyclohexyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide (PubChem CID 35757393) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-cyclohexyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide
PubChem CID35757393
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC NameN-cyclohexyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide
SMILESCc1nn(C)c2c(N3CCN(C(=O)NC4CCCCC4)CC3)ncnc12
InChIInChI=1S/C18H27N7O/c1-13-15-16(23(2)22-13)17(20-12-19-15)24-8-10-25(11-9-24)18(26)21-14-6-4-3-5-7-14/h12,14H,3-11H2,1-2H3,(H,21,26)
InChIKeyZTQCRZRHQIHRRJ-UHFFFAOYSA-N
XLogP1.84
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-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

4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)-N-phenylpiperazine-1-carboxamide
CID 35757392
1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 35757436
[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 35757404
N-cyclopentyl-4-(6-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 71795117
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409
N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707685
1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 35758439
4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-cyclopentylpiperazine-1-carboxamide
CID 157152679
N-cyclohexyl-4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide
CID 1462046
N-cyclohexyl-4-[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carboxamide
CID 3299993
N-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
CID 108780898
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide (CID 35757393) is N-cyclohexyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide is Cc1nn(C)c2c(N3CCN(C(=O)NC4CCCCC4)CC3)ncnc12.
What is the InChIKey of N-cyclohexyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide?
The InChIKey is ZTQCRZRHQIHRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c1-13-15-16(23(2)22-13)17(20-12-19-15)24-8-10-25(11-9-24)18(26)21-14-6-4-3-5-7-14/h12,14H,3-11H2,1-2H3,(H,21,26).
What are the key properties of N-cyclohexyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide?
N-cyclohexyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide is sourced from PubChem (CID 35757393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).