cyclobutyl-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone

C18H24N6O — CID 70754386

IUPACcyclobutyl-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
SMILESCc1cc(NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)ncn1
InChIInChI=1S/C18H24N6O/c1-13-8-17(21-12-20-13)19-10-15-9-16-11-23(6-3-7-24(16)22-15)18(25)14-4-2-5-14/h8-9,12,14H,2-7,10-11H2,1H3,(H,19,20,21)
InChIKeySDMNDMDOMYYYNO-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.13
Rot. Bonds4

About cyclobutyl-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone

cyclobutyl-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone (PubChem CID 70754386) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is cyclobutyl-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
PubChem CID70754386
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Namecyclobutyl-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
SMILESCc1cc(NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)ncn1
InChIInChI=1S/C18H24N6O/c1-13-8-17(21-12-20-13)19-10-15-9-16-11-23(6-3-7-24(16)22-15)18(25)14-4-2-5-14/h8-9,12,14H,2-7,10-11H2,1H3,(H,19,20,21)
InChIKeySDMNDMDOMYYYNO-UHFFFAOYSA-N
XLogP2.13
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cyclobutyl-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone 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 cyclobutyl-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The IUPAC name of cyclobutyl-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone (CID 70754386) is cyclobutyl-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone.
What is the SMILES notation for cyclobutyl-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The canonical SMILES for cyclobutyl-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone is Cc1cc(NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)ncn1.
What is the InChIKey of cyclobutyl-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The InChIKey is SDMNDMDOMYYYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-13-8-17(21-12-20-13)19-10-15-9-16-11-23(6-3-7-24(16)22-15)18(25)14-4-2-5-14/h8-9,12,14H,2-7,10-11H2,1H3,(H,19,20,21).
What are the key properties of cyclobutyl-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
cyclobutyl-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone has a molecular weight of 340.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone is sourced from PubChem (CID 70754386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).