1-[3-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-oxopropyl]-6-methylpyridin-2-one

C17H22N4O3 — CID 91767937

IUPAC1-[3-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-oxopropyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCC(=O)N1CCCn2nc(CO)cc2C1
InChIInChI=1S/C17H22N4O3/c1-13-4-2-5-17(24)20(13)9-6-16(23)19-7-3-8-21-15(11-19)10-14(12-22)18-21/h2,4-5,10,22H,3,6-9,11-12H2,1H3
InChIKeyGSQWURYAZCZDPN-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.67
Rot. Bonds4

About 1-[3-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-oxopropyl]-6-methylpyridin-2-one

1-[3-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-oxopropyl]-6-methylpyridin-2-one (PubChem CID 91767937) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[3-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-oxopropyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[3-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-oxopropyl]-6-methylpyridin-2-one
PubChem CID91767937
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-[3-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-oxopropyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCC(=O)N1CCCn2nc(CO)cc2C1
InChIInChI=1S/C17H22N4O3/c1-13-4-2-5-17(24)20(13)9-6-16(23)19-7-3-8-21-15(11-19)10-14(12-22)18-21/h2,4-5,10,22H,3,6-9,11-12H2,1H3
InChIKeyGSQWURYAZCZDPN-UHFFFAOYSA-N
XLogP0.67
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-oxopropyl]-6-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 1-[3-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-oxopropyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[3-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-oxopropyl]-6-methylpyridin-2-one (CID 91767937) is 1-[3-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-oxopropyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[3-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-oxopropyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[3-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-oxopropyl]-6-methylpyridin-2-one is Cc1cccc(=O)n1CCC(=O)N1CCCn2nc(CO)cc2C1.
What is the InChIKey of 1-[3-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-oxopropyl]-6-methylpyridin-2-one?
The InChIKey is GSQWURYAZCZDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-13-4-2-5-17(24)20(13)9-6-16(23)19-7-3-8-21-15(11-19)10-14(12-22)18-21/h2,4-5,10,22H,3,6-9,11-12H2,1H3.
What are the key properties of 1-[3-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-oxopropyl]-6-methylpyridin-2-one?
1-[3-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-oxopropyl]-6-methylpyridin-2-one has a molecular weight of 330.39 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-oxopropyl]-6-methylpyridin-2-one is sourced from PubChem (CID 91767937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).