1-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide

C28H26FN5O4 — CID 86581802

IUPAC1-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide
SMILESNC(=O)c1nn(-c2cc(F)c3c(c2)CCO3)c2c1C1(CC1)CN(c1ccc(N3CCCCC3=O)cc1)C2=O
InChIInChI=1S/C28H26FN5O4/c29-20-14-19(13-16-8-12-38-25(16)20)34-24-22(23(31-34)26(30)36)28(9-10-28)15-33(27(24)37)18-6-4-17(5-7-18)32-11-2-1-3-21(32)35/h4-7,13-14H,1-3,8-12,15H2,(H2,30,36)
InChIKeyCTNYJRUPYUMEFW-UHFFFAOYSA-N
MW515.55 g/mol
LogP3.25
Rot. Bonds4

About 1-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide

1-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide (PubChem CID 86581802) has the molecular formula C28H26FN5O4 and a molecular weight of 515.55 g/mol. Its IUPAC name is 1-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide.

Molecular Properties

Compound Name1-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide
PubChem CID86581802
Molecular FormulaC28H26FN5O4
Molecular Weight515.55 g/mol
Exact Mass515.20
IUPAC Name1-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide
SMILESNC(=O)c1nn(-c2cc(F)c3c(c2)CCO3)c2c1C1(CC1)CN(c1ccc(N3CCCCC3=O)cc1)C2=O
InChIInChI=1S/C28H26FN5O4/c29-20-14-19(13-16-8-12-38-25(16)20)34-24-22(23(31-34)26(30)36)28(9-10-28)15-33(27(24)37)18-6-4-17(5-7-18)32-11-2-1-3-21(32)35/h4-7,13-14H,1-3,8-12,15H2,(H2,30,36)
InChIKeyCTNYJRUPYUMEFW-UHFFFAOYSA-N
XLogP3.25
TPSA110.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.55
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide 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 1-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide?
The IUPAC name of 1-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide (CID 86581802) is 1-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide.
What is the SMILES notation for 1-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide?
The canonical SMILES for 1-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide is NC(=O)c1nn(-c2cc(F)c3c(c2)CCO3)c2c1C1(CC1)CN(c1ccc(N3CCCCC3=O)cc1)C2=O.
What is the InChIKey of 1-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide?
The InChIKey is CTNYJRUPYUMEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O4/c29-20-14-19(13-16-8-12-38-25(16)20)34-24-22(23(31-34)26(30)36)28(9-10-28)15-33(27(24)37)18-6-4-17(5-7-18)32-11-2-1-3-21(32)35/h4-7,13-14H,1-3,8-12,15H2,(H2,30,36).
What are the key properties of 1-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide?
1-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide has a molecular weight of 515.55 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide is sourced from PubChem (CID 86581802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).