2-(6-methyl-2-pyridinyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole

C16H15N3S — CID 10085133

IUPAC2-(6-methyl-2-pyridinyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
SMILESCc1cccc(-c2nn3c(c2-c2ccsc2)CCC3)n1
InChIInChI=1S/C16H15N3S/c1-11-4-2-5-13(17-11)16-15(12-7-9-20-10-12)14-6-3-8-19(14)18-16/h2,4-5,7,9-10H,3,6,8H2,1H3
InChIKeyAPBLBRSNULYQTA-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.93
Rot. Bonds2

About 2-(6-methyl-2-pyridinyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole

2-(6-methyl-2-pyridinyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole (PubChem CID 10085133) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
PubChem CID10085133
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name2-(6-methyl-2-pyridinyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
SMILESCc1cccc(-c2nn3c(c2-c2ccsc2)CCC3)n1
InChIInChI=1S/C16H15N3S/c1-11-4-2-5-13(17-11)16-15(12-7-9-20-10-12)14-6-3-8-19(14)18-16/h2,4-5,7,9-10H,3,6,8H2,1H3
InChIKeyAPBLBRSNULYQTA-UHFFFAOYSA-N
XLogP3.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(6-methyl-2-pyridinyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole 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-(6-methyl-2-pyridinyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole (CID 10085133) is 2-(6-methyl-2-pyridinyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole is Cc1cccc(-c2nn3c(c2-c2ccsc2)CCC3)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The InChIKey is APBLBRSNULYQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-11-4-2-5-13(17-11)16-15(12-7-9-20-10-12)14-6-3-8-19(14)18-16/h2,4-5,7,9-10H,3,6,8H2,1H3.
What are the key properties of 2-(6-methyl-2-pyridinyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
2-(6-methyl-2-pyridinyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole has a molecular weight of 281.38 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole is sourced from PubChem (CID 10085133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).