1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide

C19H27N5O2 — CID 78154019

IUPAC1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccccn1)C1CC(=O)N(C2NNC3CCCCC32)C1
InChIInChI=1S/C19H27N5O2/c25-17-11-13(19(26)21-10-8-14-5-3-4-9-20-14)12-24(17)18-15-6-1-2-7-16(15)22-23-18/h3-5,9,13,15-16,18,22-23H,1-2,6-8,10-12H2,(H,21,26)
InChIKeyRSVYRMMKVMEBJB-UHFFFAOYSA-N
MW357.46 g/mol
LogP0.58
Rot. Bonds5

About 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide

1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 78154019) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
PubChem CID78154019
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccccn1)C1CC(=O)N(C2NNC3CCCCC32)C1
InChIInChI=1S/C19H27N5O2/c25-17-11-13(19(26)21-10-8-14-5-3-4-9-20-14)12-24(17)18-15-6-1-2-7-16(15)22-23-18/h3-5,9,13,15-16,18,22-23H,1-2,6-8,10-12H2,(H,21,26)
InChIKeyRSVYRMMKVMEBJB-UHFFFAOYSA-N
XLogP0.58
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-cyclopentyl-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 94181168
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-4-[4-(2-pyridin-2-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 133108768
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78154350
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 133108766
1-cyclohexyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 17257395
1-(3,5-dimethylphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 46109979
(3S)-1-(1H-indazol-3-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 97264342
1-(4-ethoxyphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 24628562
(3S)-1-cycloheptyl-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide
CID 42292351
(3S)-1-ethyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
CID 97112567
4-hydroxy-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 112530288

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide (CID 78154019) is 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide is O=C(NCCc1ccccn1)C1CC(=O)N(C2NNC3CCCCC32)C1.
What is the InChIKey of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is RSVYRMMKVMEBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c25-17-11-13(19(26)21-10-8-14-5-3-4-9-20-14)12-24(17)18-15-6-1-2-7-16(15)22-23-18/h3-5,9,13,15-16,18,22-23H,1-2,6-8,10-12H2,(H,21,26).
What are the key properties of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 78154019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).