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

C20H17N3O — CID 10041399

IUPAC3-(1-benzofuran-2-yl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
SMILESCc1cccc(-c2nn3c(c2-c2cc4ccccc4o2)CCC3)n1
InChIInChI=1S/C20H17N3O/c1-13-6-4-8-15(21-13)20-19(16-9-5-11-23(16)22-20)18-12-14-7-2-3-10-17(14)24-18/h2-4,6-8,10,12H,5,9,11H2,1H3
InChIKeyIBPHRGYHMOPMQW-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.61
Rot. Bonds2

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

3-(1-benzofuran-2-yl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole (PubChem CID 10041399) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
PubChem CID10041399
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name3-(1-benzofuran-2-yl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
SMILESCc1cccc(-c2nn3c(c2-c2cc4ccccc4o2)CCC3)n1
InChIInChI=1S/C20H17N3O/c1-13-6-4-8-15(21-13)20-19(16-9-5-11-23(16)22-20)18-12-14-7-2-3-10-17(14)24-18/h2-4,6-8,10,12H,5,9,11H2,1H3
InChIKeyIBPHRGYHMOPMQW-UHFFFAOYSA-N
XLogP4.61
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The IUPAC name of 3-(1-benzofuran-2-yl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole (CID 10041399) is 3-(1-benzofuran-2-yl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The canonical SMILES for 3-(1-benzofuran-2-yl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole is Cc1cccc(-c2nn3c(c2-c2cc4ccccc4o2)CCC3)n1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The InChIKey is IBPHRGYHMOPMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-13-6-4-8-15(21-13)20-19(16-9-5-11-23(16)22-20)18-12-14-7-2-3-10-17(14)24-18/h2-4,6-8,10,12H,5,9,11H2,1H3.
What are the key properties of 3-(1-benzofuran-2-yl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
3-(1-benzofuran-2-yl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole has a molecular weight of 315.38 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole is sourced from PubChem (CID 10041399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).