5-[[[5-(cyclohexylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one

C21H28N6O — CID 70806638

IUPAC5-[[[5-(cyclohexylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one
SMILESCCc1cnn2c(NCc3ccc(=O)n(C)c3)cc(NC3CCCCC3)nc12
InChIInChI=1S/C21H28N6O/c1-3-16-13-23-27-19(22-12-15-9-10-20(28)26(2)14-15)11-18(25-21(16)27)24-17-7-5-4-6-8-17/h9-11,13-14,17,22H,3-8,12H2,1-2H3,(H,24,25)
InChIKeyDMCUJEJNEQIERL-UHFFFAOYSA-N
MW380.50 g/mol
LogP3.35
Rot. Bonds6

About 5-[[[5-(cyclohexylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one

5-[[[5-(cyclohexylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one (PubChem CID 70806638) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 5-[[[5-(cyclohexylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[[[5-(cyclohexylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one
PubChem CID70806638
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name5-[[[5-(cyclohexylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one
SMILESCCc1cnn2c(NCc3ccc(=O)n(C)c3)cc(NC3CCCCC3)nc12
InChIInChI=1S/C21H28N6O/c1-3-16-13-23-27-19(22-12-15-9-10-20(28)26(2)14-15)11-18(25-21(16)27)24-17-7-5-4-6-8-17/h9-11,13-14,17,22H,3-8,12H2,1-2H3,(H,24,25)
InChIKeyDMCUJEJNEQIERL-UHFFFAOYSA-N
XLogP3.35
TPSA76.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[[5-(cyclohexylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[[5-(cyclohexylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[[[5-(cyclohexylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one (CID 70806638) is 5-[[[5-(cyclohexylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[[[5-(cyclohexylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[[[5-(cyclohexylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one is CCc1cnn2c(NCc3ccc(=O)n(C)c3)cc(NC3CCCCC3)nc12.
What is the InChIKey of 5-[[[5-(cyclohexylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one?
The InChIKey is DMCUJEJNEQIERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-3-16-13-23-27-19(22-12-15-9-10-20(28)26(2)14-15)11-18(25-21(16)27)24-17-7-5-4-6-8-17/h9-11,13-14,17,22H,3-8,12H2,1-2H3,(H,24,25).
What are the key properties of 5-[[[5-(cyclohexylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one?
5-[[[5-(cyclohexylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one has a molecular weight of 380.50 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[5-(cyclohexylamino)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 70806638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).