N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

C20H25N5O2 — CID 134127682

IUPACN-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESO=C(NCCn1nc(-c2ccccc2)ccc1=O)C1NNC2CCCCC21
InChIInChI=1S/C20H25N5O2/c26-18-11-10-16(14-6-2-1-3-7-14)24-25(18)13-12-21-20(27)19-15-8-4-5-9-17(15)22-23-19/h1-3,6-7,10-11,15,17,19,22-23H,4-5,8-9,12-13H2,(H,21,27)
InChIKeyFJSDZXDFIYAWBD-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.06
Rot. Bonds5

About N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 134127682) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID134127682
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESO=C(NCCn1nc(-c2ccccc2)ccc1=O)C1NNC2CCCCC21
InChIInChI=1S/C20H25N5O2/c26-18-11-10-16(14-6-2-1-3-7-14)24-25(18)13-12-21-20(27)19-15-8-4-5-9-17(15)22-23-19/h1-3,6-7,10-11,15,17,19,22-23H,4-5,8-9,12-13H2,(H,21,27)
InChIKeyFJSDZXDFIYAWBD-UHFFFAOYSA-N
XLogP1.06
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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1-cyclohexyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]urea
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2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
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CID 90520683
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N-[2-oxo-2-[2-(6-oxo-3-phenylpyridazin-1-yl)ethylamino]ethyl]benzamide
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(2R)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide
CID 126429373
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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 134127682) is N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is O=C(NCCn1nc(-c2ccccc2)ccc1=O)C1NNC2CCCCC21.
What is the InChIKey of N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is FJSDZXDFIYAWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-18-11-10-16(14-6-2-1-3-7-14)24-25(18)13-12-21-20(27)19-15-8-4-5-9-17(15)22-23-19/h1-3,6-7,10-11,15,17,19,22-23H,4-5,8-9,12-13H2,(H,21,27).
What are the key properties of N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 134127682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).