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

C27H26FN5O4 — CID 86581650

IUPAC1-(3-fluoro-4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC32CC2)cc1F
InChIInChI=1S/C27H26FN5O4/c1-37-20-10-9-18(14-19(20)28)33-24-22(23(30-33)25(29)35)27(11-12-27)15-32(26(24)36)17-7-5-16(6-8-17)31-13-3-2-4-21(31)34/h5-10,14H,2-4,11-13,15H2,1H3,(H2,29,35)
InChIKeyPUVNBHGICRZKCS-UHFFFAOYSA-N
MW503.53 g/mol
LogP3.33
Rot. Bonds5

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

1-(3-fluoro-4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide (PubChem CID 86581650) has the molecular formula C27H26FN5O4 and a molecular weight of 503.53 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-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-(3-fluoro-4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide
PubChem CID86581650
Molecular FormulaC27H26FN5O4
Molecular Weight503.53 g/mol
Exact Mass503.20
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC32CC2)cc1F
InChIInChI=1S/C27H26FN5O4/c1-37-20-10-9-18(14-19(20)28)33-24-22(23(30-33)25(29)35)27(11-12-27)15-32(26(24)36)17-7-5-16(6-8-17)31-13-3-2-4-21(31)34/h5-10,14H,2-4,11-13,15H2,1H3,(H2,29,35)
InChIKeyPUVNBHGICRZKCS-UHFFFAOYSA-N
XLogP3.33
TPSA110.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.53
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-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-(3-fluoro-4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide (CID 86581650) is 1-(3-fluoro-4-methoxyphenyl)-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-(3-fluoro-4-methoxyphenyl)-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-(3-fluoro-4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC32CC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide?
The InChIKey is PUVNBHGICRZKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O4/c1-37-20-10-9-18(14-19(20)28)33-24-22(23(30-33)25(29)35)27(11-12-27)15-32(26(24)36)17-7-5-16(6-8-17)31-13-3-2-4-21(31)34/h5-10,14H,2-4,11-13,15H2,1H3,(H2,29,35).
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide?
1-(3-fluoro-4-methoxyphenyl)-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 503.53 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-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 86581650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).