N-[4-(2-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide

C27H24N4O3 — CID 3399743

IUPACN-[4-(2-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
SMILESCOc1ccccc1C1c2c(C)nn(-c3ccccc3)c2NC(=O)C1NC(=O)c1ccccc1
InChIInChI=1S/C27H24N4O3/c1-17-22-23(20-15-9-10-16-21(20)34-2)24(28-26(32)18-11-5-3-6-12-18)27(33)29-25(22)31(30-17)19-13-7-4-8-14-19/h3-16,23-24H,1-2H3,(H,28,32)(H,29,33)
InChIKeyRJBCZQQZWFPJEV-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.07
Rot. Bonds5

About N-[4-(2-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide

N-[4-(2-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide (PubChem CID 3399743) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[4-(2-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
PubChem CID3399743
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC NameN-[4-(2-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
SMILESCOc1ccccc1C1c2c(C)nn(-c3ccccc3)c2NC(=O)C1NC(=O)c1ccccc1
InChIInChI=1S/C27H24N4O3/c1-17-22-23(20-15-9-10-16-21(20)34-2)24(28-26(32)18-11-5-3-6-12-18)27(33)29-25(22)31(30-17)19-13-7-4-8-14-19/h3-16,23-24H,1-2H3,(H,28,32)(H,29,33)
InChIKeyRJBCZQQZWFPJEV-UHFFFAOYSA-N
XLogP4.07
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide?
The IUPAC name of N-[4-(2-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide (CID 3399743) is N-[4-(2-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide.
What is the SMILES notation for N-[4-(2-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide?
The canonical SMILES for N-[4-(2-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide is COc1ccccc1C1c2c(C)nn(-c3ccccc3)c2NC(=O)C1NC(=O)c1ccccc1.
What is the InChIKey of N-[4-(2-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide?
The InChIKey is RJBCZQQZWFPJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-17-22-23(20-15-9-10-16-21(20)34-2)24(28-26(32)18-11-5-3-6-12-18)27(33)29-25(22)31(30-17)19-13-7-4-8-14-19/h3-16,23-24H,1-2H3,(H,28,32)(H,29,33).
What are the key properties of N-[4-(2-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide?
N-[4-(2-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide has a molecular weight of 452.51 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 3399743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).