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

C27H34N4O4 — CID 178187122

IUPACN-[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
SMILESCOc1ccc(CCNC(=O)C2CN(CC3CCCO3)CC3C(=O)N(c4ccccc4)NC23)cc1
InChIInChI=1S/C27H34N4O4/c1-34-21-11-9-19(10-12-21)13-14-28-26(32)23-17-30(16-22-8-5-15-35-22)18-24-25(23)29-31(27(24)33)20-6-3-2-4-7-20/h2-4,6-7,9-12,22-25,29H,5,8,13-18H2,1H3,(H,28,32)
InChIKeySESKWAMBAKYCDG-UHFFFAOYSA-N
MW478.59 g/mol
LogP2.00
Rot. Bonds8

About 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

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 (PubChem CID 178187122) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID178187122
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC NameN-[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
SMILESCOc1ccc(CCNC(=O)C2CN(CC3CCCO3)CC3C(=O)N(c4ccccc4)NC23)cc1
InChIInChI=1S/C27H34N4O4/c1-34-21-11-9-19(10-12-21)13-14-28-26(32)23-17-30(16-22-8-5-15-35-22)18-24-25(23)29-31(27(24)33)20-6-3-2-4-7-20/h2-4,6-7,9-12,22-25,29H,5,8,13-18H2,1H3,(H,28,32)
InChIKeySESKWAMBAKYCDG-UHFFFAOYSA-N
XLogP2.00
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
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
trans-(1R,2R)-N-[2-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 896868
N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79382747
5-methyl-N-(3-methylbutyl)-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178188230
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea
CID 60614284
5-oxo-1-(oxolan-2-ylmethyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113182664
2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096161
1-(oxan-2-ylmethyl)-N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide
CID 11825671
2-amino-N-[2-(4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 64817742
2-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 86851473

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(CCNC(=O)C2CN(CC3CCCO3)CC3C(=O)N(c4ccccc4)NC23)cc1.
What is the InChIKey of 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?
The InChIKey is SESKWAMBAKYCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-34-21-11-9-19(10-12-21)13-14-28-26(32)23-17-30(16-22-8-5-15-35-22)18-24-25(23)29-31(27(24)33)20-6-3-2-4-7-20/h2-4,6-7,9-12,22-25,29H,5,8,13-18H2,1H3,(H,28,32).
What are the key properties of 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?
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 has a molecular weight of 478.59 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178187122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).