1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3a,4,5,7a-tetrahydropyrazolo[3,4-c]pyridine-3-carboxamide

C25H27N5O4 — CID 59841823

IUPAC1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3a,4,5,7a-tetrahydropyrazolo[3,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(N2N=C(C(N)=O)C3CCN(c4ccc(N5CCCCC5=O)cc4)C(=O)C32)cc1
InChIInChI=1S/C25H27N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12,20,23H,2-4,13-15H2,1H3,(H2,26,32)
InChIKeyHPROUOWNFHBVDH-UHFFFAOYSA-N
MW461.52 g/mol
LogP2.30
Rot. Bonds5

About 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3a,4,5,7a-tetrahydropyrazolo[3,4-c]pyridine-3-carboxamide

1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3a,4,5,7a-tetrahydropyrazolo[3,4-c]pyridine-3-carboxamide (PubChem CID 59841823) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3a,4,5,7a-tetrahydropyrazolo[3,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3a,4,5,7a-tetrahydropyrazolo[3,4-c]pyridine-3-carboxamide
PubChem CID59841823
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC Name1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3a,4,5,7a-tetrahydropyrazolo[3,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(N2N=C(C(N)=O)C3CCN(c4ccc(N5CCCCC5=O)cc4)C(=O)C32)cc1
InChIInChI=1S/C25H27N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12,20,23H,2-4,13-15H2,1H3,(H2,26,32)
InChIKeyHPROUOWNFHBVDH-UHFFFAOYSA-N
XLogP2.30
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3a,4,5,7a-tetrahydropyrazolo[3,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3a,4,5,7a-tetrahydropyrazolo[3,4-c]pyridine-3-carboxamide (CID 59841823) is 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3a,4,5,7a-tetrahydropyrazolo[3,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3a,4,5,7a-tetrahydropyrazolo[3,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3a,4,5,7a-tetrahydropyrazolo[3,4-c]pyridine-3-carboxamide is COc1ccc(N2N=C(C(N)=O)C3CCN(c4ccc(N5CCCCC5=O)cc4)C(=O)C32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3a,4,5,7a-tetrahydropyrazolo[3,4-c]pyridine-3-carboxamide?
The InChIKey is HPROUOWNFHBVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12,20,23H,2-4,13-15H2,1H3,(H2,26,32).
What are the key properties of 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3a,4,5,7a-tetrahydropyrazolo[3,4-c]pyridine-3-carboxamide?
1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3a,4,5,7a-tetrahydropyrazolo[3,4-c]pyridine-3-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3a,4,5,7a-tetrahydropyrazolo[3,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 59841823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).