4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azepan-4-ol

C13H19N5O — CID 107407344

IUPAC4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azepan-4-ol
SMILESCn1ncc2c(N3CCCC(C)(O)CC3)ncnc21
InChIInChI=1S/C13H19N5O/c1-13(19)4-3-6-18(7-5-13)12-10-8-16-17(2)11(10)14-9-15-12/h8-9,19H,3-7H2,1-2H3
InChIKeyBWZCHAGFEUBNBJ-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.10
Rot. Bonds1

About 4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azepan-4-ol

4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azepan-4-ol (PubChem CID 107407344) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azepan-4-ol.

Molecular Properties

Compound Name4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azepan-4-ol
PubChem CID107407344
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azepan-4-ol
SMILESCn1ncc2c(N3CCCC(C)(O)CC3)ncnc21
InChIInChI=1S/C13H19N5O/c1-13(19)4-3-6-18(7-5-13)12-10-8-16-17(2)11(10)14-9-15-12/h8-9,19H,3-7H2,1-2H3
InChIKeyBWZCHAGFEUBNBJ-UHFFFAOYSA-N
XLogP1.10
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azepan-4-ol 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

1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one
CID 43088529
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 166000897
(1-aminocyclopentyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 119840114
1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 31290694
1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 154853682
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 43088533
1-methyl-4-(4-propylazepan-1-yl)pyrazolo[5,4-d]pyrimidine
CID 48933564
4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol
CID 110931563
1-(6-aminoquinazolin-4-yl)-4-methylazepan-4-ol
CID 107403605
2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
CID 62357139
3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 60870068

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azepan-4-ol?
The IUPAC name of 4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azepan-4-ol (CID 107407344) is 4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azepan-4-ol.
What is the SMILES notation for 4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azepan-4-ol?
The canonical SMILES for 4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azepan-4-ol is Cn1ncc2c(N3CCCC(C)(O)CC3)ncnc21.
What is the InChIKey of 4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azepan-4-ol?
The InChIKey is BWZCHAGFEUBNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-13(19)4-3-6-18(7-5-13)12-10-8-16-17(2)11(10)14-9-15-12/h8-9,19H,3-7H2,1-2H3.
What are the key properties of 4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azepan-4-ol?
4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azepan-4-ol has a molecular weight of 261.33 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azepan-4-ol is sourced from PubChem (CID 107407344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).