(6-methoxy-3-pyridinyl)-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone

C18H18N4O2S — CID 53165182

IUPAC(6-methoxy-3-pyridinyl)-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCn3nc(-c4cccs4)cc3C2)cn1
InChIInChI=1S/C18H18N4O2S/c1-24-17-6-5-13(11-19-17)18(23)21-7-3-8-22-14(12-21)10-15(20-22)16-4-2-9-25-16/h2,4-6,9-11H,3,7-8,12H2,1H3
InChIKeyVDHVTUFEQHOGSL-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.06
Rot. Bonds3

About (6-methoxy-3-pyridinyl)-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone

(6-methoxy-3-pyridinyl)-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone (PubChem CID 53165182) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl)-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone.

Molecular Properties

Compound Name(6-methoxy-3-pyridinyl)-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
PubChem CID53165182
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name(6-methoxy-3-pyridinyl)-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCn3nc(-c4cccs4)cc3C2)cn1
InChIInChI=1S/C18H18N4O2S/c1-24-17-6-5-13(11-19-17)18(23)21-7-3-8-22-14(12-21)10-15(20-22)16-4-2-9-25-16/h2,4-6,9-11H,3,7-8,12H2,1H3
InChIKeyVDHVTUFEQHOGSL-UHFFFAOYSA-N
XLogP3.06
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6-methoxy-3-pyridinyl)-(2-thiophen-2-yl-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 (6-methoxy-3-pyridinyl)-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone?
The IUPAC name of (6-methoxy-3-pyridinyl)-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone (CID 53165182) is (6-methoxy-3-pyridinyl)-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone.
What is the SMILES notation for (6-methoxy-3-pyridinyl)-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone?
The canonical SMILES for (6-methoxy-3-pyridinyl)-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone is COc1ccc(C(=O)N2CCCn3nc(-c4cccs4)cc3C2)cn1.
What is the InChIKey of (6-methoxy-3-pyridinyl)-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone?
The InChIKey is VDHVTUFEQHOGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-24-17-6-5-13(11-19-17)18(23)21-7-3-8-22-14(12-21)10-15(20-22)16-4-2-9-25-16/h2,4-6,9-11H,3,7-8,12H2,1H3.
What are the key properties of (6-methoxy-3-pyridinyl)-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone?
(6-methoxy-3-pyridinyl)-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone has a molecular weight of 354.44 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-pyridinyl)-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone is sourced from PubChem (CID 53165182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).