1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C15H22N6O2 — CID 78154350

IUPAC1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ncc[nH]1)C1CC(=O)N(C2NNC3CCCCC32)C1
InChIInChI=1S/C15H22N6O2/c22-12-7-9(14(23)18-15-16-5-6-17-15)8-21(12)13-10-3-1-2-4-11(10)19-20-13/h5-6,9-11,13,19-20H,1-4,7-8H2,(H2,16,17,18,23)
InChIKeyYRGXADLPKGKMKB-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.19
Rot. Bonds3

About 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide

1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 78154350) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID78154350
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ncc[nH]1)C1CC(=O)N(C2NNC3CCCCC32)C1
InChIInChI=1S/C15H22N6O2/c22-12-7-9(14(23)18-15-16-5-6-17-15)8-21(12)13-10-3-1-2-4-11(10)19-20-13/h5-6,9-11,13,19-20H,1-4,7-8H2,(H2,16,17,18,23)
InChIKeyYRGXADLPKGKMKB-UHFFFAOYSA-N
XLogP0.19
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 134125960
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
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-(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-(1H-imidazol-2-yl)oxane-4-carboxamide
CID 60967951
(3R)-1-(6-bromo-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
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1-(6-bromo-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 71827648
(3R)-N-(1H-imidazol-2-yl)piperidine-3-carboxamide
CID 81139688
1-cyclopentyl-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 17081286
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CID 40633944
(3R)-1-cycloheptyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide
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(2S)-N-(1H-imidazol-2-yl)oxolane-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 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) is 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ncc[nH]1)C1CC(=O)N(C2NNC3CCCCC32)C1.
What is the InChIKey of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YRGXADLPKGKMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c22-12-7-9(14(23)18-15-16-5-6-17-15)8-21(12)13-10-3-1-2-4-11(10)19-20-13/h5-6,9-11,13,19-20H,1-4,7-8H2,(H2,16,17,18,23).
What are the key properties of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.19, 3 rotatable bonds, 4 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)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78154350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).