2-methyl-5-[[methyl-[(1-morpholin-4-ylcyclohexyl)methyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H31N5O2 — CID 91829464

IUPAC2-methyl-5-[[methyl-[(1-morpholin-4-ylcyclohexyl)methyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CN(C)CC3(N4CCOCC4)CCCCC3)cc(=O)n2[nH]1
InChIInChI=1S/C20H31N5O2/c1-16-12-18-21-17(13-19(26)25(18)22-16)14-23(2)15-20(6-4-3-5-7-20)24-8-10-27-11-9-24/h12-13,22H,3-11,14-15H2,1-2H3
InChIKeyAXTYSNYDOZYKCI-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.80
Rot. Bonds5

About 2-methyl-5-[[methyl-[(1-morpholin-4-ylcyclohexyl)methyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-methyl-5-[[methyl-[(1-morpholin-4-ylcyclohexyl)methyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 91829464) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-methyl-5-[[methyl-[(1-morpholin-4-ylcyclohexyl)methyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-5-[[methyl-[(1-morpholin-4-ylcyclohexyl)methyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID91829464
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name2-methyl-5-[[methyl-[(1-morpholin-4-ylcyclohexyl)methyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CN(C)CC3(N4CCOCC4)CCCCC3)cc(=O)n2[nH]1
InChIInChI=1S/C20H31N5O2/c1-16-12-18-21-17(13-19(26)25(18)22-16)14-23(2)15-20(6-4-3-5-7-20)24-8-10-27-11-9-24/h12-13,22H,3-11,14-15H2,1-2H3
InChIKeyAXTYSNYDOZYKCI-UHFFFAOYSA-N
XLogP1.80
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-[[methyl-[(1-morpholin-4-ylcyclohexyl)methyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-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 2-methyl-5-[[methyl-[(1-morpholin-4-ylcyclohexyl)methyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-5-[[methyl-[(1-morpholin-4-ylcyclohexyl)methyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 91829464) is 2-methyl-5-[[methyl-[(1-morpholin-4-ylcyclohexyl)methyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-5-[[methyl-[(1-morpholin-4-ylcyclohexyl)methyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-5-[[methyl-[(1-morpholin-4-ylcyclohexyl)methyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(CN(C)CC3(N4CCOCC4)CCCCC3)cc(=O)n2[nH]1.
What is the InChIKey of 2-methyl-5-[[methyl-[(1-morpholin-4-ylcyclohexyl)methyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AXTYSNYDOZYKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-16-12-18-21-17(13-19(26)25(18)22-16)14-23(2)15-20(6-4-3-5-7-20)24-8-10-27-11-9-24/h12-13,22H,3-11,14-15H2,1-2H3.
What are the key properties of 2-methyl-5-[[methyl-[(1-morpholin-4-ylcyclohexyl)methyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-5-[[methyl-[(1-morpholin-4-ylcyclohexyl)methyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 373.50 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[methyl-[(1-morpholin-4-ylcyclohexyl)methyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 91829464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).