2-(dimethylamino)-1-[5-[(2-ethylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol

C18H28N6O — CID 90647821

IUPAC2-(dimethylamino)-1-[5-[(2-ethylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
SMILESCCc1nccc(CN2CCCn3nc(C(O)CN(C)C)cc3C2)n1
InChIInChI=1S/C18H28N6O/c1-4-18-19-7-6-14(20-18)11-23-8-5-9-24-15(12-23)10-16(21-24)17(25)13-22(2)3/h6-7,10,17,25H,4-5,8-9,11-13H2,1-3H3
InChIKeySSWHVYDUXPKAEM-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.24
Rot. Bonds6

About 2-(dimethylamino)-1-[5-[(2-ethylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol

2-(dimethylamino)-1-[5-[(2-ethylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol (PubChem CID 90647821) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[5-[(2-ethylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol.

Molecular Properties

Compound Name2-(dimethylamino)-1-[5-[(2-ethylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
PubChem CID90647821
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name2-(dimethylamino)-1-[5-[(2-ethylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
SMILESCCc1nccc(CN2CCCn3nc(C(O)CN(C)C)cc3C2)n1
InChIInChI=1S/C18H28N6O/c1-4-18-19-7-6-14(20-18)11-23-8-5-9-24-15(12-23)10-16(21-24)17(25)13-22(2)3/h6-7,10,17,25H,4-5,8-9,11-13H2,1-3H3
InChIKeySSWHVYDUXPKAEM-UHFFFAOYSA-N
XLogP1.24
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(dimethylamino)-1-[5-[(2-ethylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol 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-(dimethylamino)-1-[5-[(2-ethylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?
The IUPAC name of 2-(dimethylamino)-1-[5-[(2-ethylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol (CID 90647821) is 2-(dimethylamino)-1-[5-[(2-ethylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol.
What is the SMILES notation for 2-(dimethylamino)-1-[5-[(2-ethylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?
The canonical SMILES for 2-(dimethylamino)-1-[5-[(2-ethylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol is CCc1nccc(CN2CCCn3nc(C(O)CN(C)C)cc3C2)n1.
What is the InChIKey of 2-(dimethylamino)-1-[5-[(2-ethylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?
The InChIKey is SSWHVYDUXPKAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-4-18-19-7-6-14(20-18)11-23-8-5-9-24-15(12-23)10-16(21-24)17(25)13-22(2)3/h6-7,10,17,25H,4-5,8-9,11-13H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-[5-[(2-ethylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?
2-(dimethylamino)-1-[5-[(2-ethylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol has a molecular weight of 344.46 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[5-[(2-ethylpyrimidin-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol is sourced from PubChem (CID 90647821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).