3-(1-benzofuran-2-yl)-N-cyclopropylspiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide

C20H20N4O2 — CID 177372654

IUPAC3-(1-benzofuran-2-yl)-N-cyclopropylspiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide
SMILESO=C(NC1CC1)N1Cc2[nH]nc(-c3cc4ccccc4o3)c2C12CCC2
InChIInChI=1S/C20H20N4O2/c25-19(21-13-6-7-13)24-11-14-17(20(24)8-3-9-20)18(23-22-14)16-10-12-4-1-2-5-15(12)26-16/h1-2,4-5,10,13H,3,6-9,11H2,(H,21,25)(H,22,23)
InChIKeyTYRLTYOOLQRXGO-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.89
Rot. Bonds2

About 3-(1-benzofuran-2-yl)-N-cyclopropylspiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide

3-(1-benzofuran-2-yl)-N-cyclopropylspiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide (PubChem CID 177372654) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-cyclopropylspiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-N-cyclopropylspiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide
PubChem CID177372654
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-(1-benzofuran-2-yl)-N-cyclopropylspiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide
SMILESO=C(NC1CC1)N1Cc2[nH]nc(-c3cc4ccccc4o3)c2C12CCC2
InChIInChI=1S/C20H20N4O2/c25-19(21-13-6-7-13)24-11-14-17(20(24)8-3-9-20)18(23-22-14)16-10-12-4-1-2-5-15(12)26-16/h1-2,4-5,10,13H,3,6-9,11H2,(H,21,25)(H,22,23)
InChIKeyTYRLTYOOLQRXGO-UHFFFAOYSA-N
XLogP3.89
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-N-cyclopropylspiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide?
The IUPAC name of 3-(1-benzofuran-2-yl)-N-cyclopropylspiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide (CID 177372654) is 3-(1-benzofuran-2-yl)-N-cyclopropylspiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-N-cyclopropylspiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide?
The canonical SMILES for 3-(1-benzofuran-2-yl)-N-cyclopropylspiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide is O=C(NC1CC1)N1Cc2[nH]nc(-c3cc4ccccc4o3)c2C12CCC2.
What is the InChIKey of 3-(1-benzofuran-2-yl)-N-cyclopropylspiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide?
The InChIKey is TYRLTYOOLQRXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(21-13-6-7-13)24-11-14-17(20(24)8-3-9-20)18(23-22-14)16-10-12-4-1-2-5-15(12)26-16/h1-2,4-5,10,13H,3,6-9,11H2,(H,21,25)(H,22,23).
What are the key properties of 3-(1-benzofuran-2-yl)-N-cyclopropylspiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide?
3-(1-benzofuran-2-yl)-N-cyclopropylspiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-N-cyclopropylspiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide is sourced from PubChem (CID 177372654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).