N-[2-(3-methoxyphenyl)ethyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide

C23H28N4O3 — CID 178187405

IUPACN-[2-(3-methoxyphenyl)ethyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCOc1cccc(CCNC(=O)C2CN(C)CC3C(=O)N(c4ccccc4)NC23)c1
InChIInChI=1S/C23H28N4O3/c1-26-14-19(22(28)24-12-11-16-7-6-10-18(13-16)30-2)21-20(15-26)23(29)27(25-21)17-8-4-3-5-9-17/h3-10,13,19-21,25H,11-12,14-15H2,1-2H3,(H,24,28)
InChIKeyRFHWOXLEIGHBBQ-UHFFFAOYSA-N
MW408.50 g/mol
LogP1.45
Rot. Bonds6

About N-[2-(3-methoxyphenyl)ethyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 178187405) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID178187405
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCOc1cccc(CCNC(=O)C2CN(C)CC3C(=O)N(c4ccccc4)NC23)c1
InChIInChI=1S/C23H28N4O3/c1-26-14-19(22(28)24-12-11-16-7-6-10-18(13-16)30-2)21-20(15-26)23(29)27(25-21)17-8-4-3-5-9-17/h3-10,13,19-21,25H,11-12,14-15H2,1-2H3,(H,24,28)
InChIKeyRFHWOXLEIGHBBQ-UHFFFAOYSA-N
XLogP1.45
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyphenyl)methyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178187981
5-ethyl-N-[2-(4-methoxyphenyl)ethyl]-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178187298
5-methyl-N-(3-methylbutyl)-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178188230
N-[2-(4-methoxyphenyl)ethyl]-3-oxo-5-(oxolan-2-ylmethyl)-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178187122
N-[4-(dimethylamino)phenyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178187396
1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113184516
N-[2-(cyclohexen-1-yl)ethyl]-5-(2-methoxyethyl)-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178202054
N-[2-(3-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 103808813
2-N-butyl-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109131252
N-(2,2-dimethoxyethyl)-3-oxo-2-phenyl-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178187728
N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185970
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130661

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide (CID 178187405) is N-[2-(3-methoxyphenyl)ethyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide is COc1cccc(CCNC(=O)C2CN(C)CC3C(=O)N(c4ccccc4)NC23)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is RFHWOXLEIGHBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-26-14-19(22(28)24-12-11-16-7-6-10-18(13-16)30-2)21-20(15-26)23(29)27(25-21)17-8-4-3-5-9-17/h3-10,13,19-21,25H,11-12,14-15H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 178187405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).