2,7,9-trimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline

C17H17N3S — CID 3158710

IUPAC2,7,9-trimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc(C)c2c(c1)-c1cc(C)nn1C(c1cccs1)N2
InChIInChI=1S/C17H17N3S/c1-10-7-11(2)16-13(8-10)14-9-12(3)19-20(14)17(18-16)15-5-4-6-21-15/h4-9,17-18H,1-3H3
InChIKeySDULUBXHKUKINE-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.51
Rot. Bonds1

About 2,7,9-trimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline

2,7,9-trimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 3158710) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2,7,9-trimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2,7,9-trimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID3158710
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name2,7,9-trimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc(C)c2c(c1)-c1cc(C)nn1C(c1cccs1)N2
InChIInChI=1S/C17H17N3S/c1-10-7-11(2)16-13(8-10)14-9-12(3)19-20(14)17(18-16)15-5-4-6-21-15/h4-9,17-18H,1-3H3
InChIKeySDULUBXHKUKINE-UHFFFAOYSA-N
XLogP4.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,7,9-trimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline 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 2,7,9-trimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 2,7,9-trimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 3158710) is 2,7,9-trimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 2,7,9-trimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 2,7,9-trimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline is Cc1cc(C)c2c(c1)-c1cc(C)nn1C(c1cccs1)N2.
What is the InChIKey of 2,7,9-trimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is SDULUBXHKUKINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-10-7-11(2)16-13(8-10)14-9-12(3)19-20(14)17(18-16)15-5-4-6-21-15/h4-9,17-18H,1-3H3.
What are the key properties of 2,7,9-trimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline?
2,7,9-trimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 295.41 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,9-trimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 3158710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).