5-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide

C25H27N5O3 — CID 53186744

IUPAC5-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESCOc1ccc(Cn2c(=O)c3ccnn3c3ccc(C(=O)NC4CCN(C)CC4)cc32)cc1
InChIInChI=1S/C25H27N5O3/c1-28-13-10-19(11-14-28)27-24(31)18-5-8-21-23(15-18)29(25(32)22-9-12-26-30(21)22)16-17-3-6-20(33-2)7-4-17/h3-9,12,15,19H,10-11,13-14,16H2,1-2H3,(H,27,31)
InChIKeyCZIJOSBRRSWMMB-UHFFFAOYSA-N
MW445.52 g/mol
LogP2.53
Rot. Bonds5

About 5-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide

5-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide (PubChem CID 53186744) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
PubChem CID53186744
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name5-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESCOc1ccc(Cn2c(=O)c3ccnn3c3ccc(C(=O)NC4CCN(C)CC4)cc32)cc1
InChIInChI=1S/C25H27N5O3/c1-28-13-10-19(11-14-28)27-24(31)18-5-8-21-23(15-18)29(25(32)22-9-12-26-30(21)22)16-17-3-6-20(33-2)7-4-17/h3-9,12,15,19H,10-11,13-14,16H2,1-2H3,(H,27,31)
InChIKeyCZIJOSBRRSWMMB-UHFFFAOYSA-N
XLogP2.53
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide (CID 53186744) is 5-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide is COc1ccc(Cn2c(=O)c3ccnn3c3ccc(C(=O)NC4CCN(C)CC4)cc32)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The InChIKey is CZIJOSBRRSWMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-28-13-10-19(11-14-28)27-24(31)18-5-8-21-23(15-18)29(25(32)22-9-12-26-30(21)22)16-17-3-6-20(33-2)7-4-17/h3-9,12,15,19H,10-11,13-14,16H2,1-2H3,(H,27,31).
What are the key properties of 5-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
5-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 53186744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).