N-[1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide

C25H25N5O4 — CID 89410768

IUPACN-[1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide
SMILESCOc1ccc(-n2nc(NC=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1
InChIInChI=1S/C25H25N5O4/c1-34-20-11-9-19(10-12-20)30-23-21(24(27-30)26-16-31)13-15-29(25(23)33)18-7-5-17(6-8-18)28-14-3-2-4-22(28)32/h5-12,16H,2-4,13-15H2,1H3,(H,26,27,31)
InChIKeyHVGSIILHDIJDPX-UHFFFAOYSA-N
MW459.51 g/mol
LogP3.17
Rot. Bonds6

About N-[1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide

N-[1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide (PubChem CID 89410768) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide
PubChem CID89410768
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC NameN-[1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide
SMILESCOc1ccc(-n2nc(NC=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1
InChIInChI=1S/C25H25N5O4/c1-34-20-11-9-19(10-12-20)30-23-21(24(27-30)26-16-31)13-15-29(25(23)33)18-7-5-17(6-8-18)28-14-3-2-4-22(28)32/h5-12,16H,2-4,13-15H2,1H3,(H,26,27,31)
InChIKeyHVGSIILHDIJDPX-UHFFFAOYSA-N
XLogP3.17
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide (CID 89410768) is N-[1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide is COc1ccc(-n2nc(NC=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide?
The InChIKey is HVGSIILHDIJDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-34-20-11-9-19(10-12-20)30-23-21(24(27-30)26-16-31)13-15-29(25(23)33)18-7-5-17(6-8-18)28-14-3-2-4-22(28)32/h5-12,16H,2-4,13-15H2,1H3,(H,26,27,31).
What are the key properties of N-[1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide?
N-[1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide has a molecular weight of 459.51 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide is sourced from PubChem (CID 89410768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).