1-(6-imidazol-1-ylpyridazin-3-yl)-N-(1H-indazol-6-yl)piperidine-3-carboxamide

C20H20N8O — CID 52993035

IUPAC1-(6-imidazol-1-ylpyridazin-3-yl)-N-(1H-indazol-6-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)C1CCCN(c2ccc(-n3ccnc3)nn2)C1
InChIInChI=1S/C20H20N8O/c29-20(23-16-4-3-14-11-22-24-17(14)10-16)15-2-1-8-27(12-15)18-5-6-19(26-25-18)28-9-7-21-13-28/h3-7,9-11,13,15H,1-2,8,12H2,(H,22,24)(H,23,29)
InChIKeyZTDPWQTZUAXKMV-UHFFFAOYSA-N
MW388.44 g/mol
LogP2.39
Rot. Bonds4

About 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(1H-indazol-6-yl)piperidine-3-carboxamide

1-(6-imidazol-1-ylpyridazin-3-yl)-N-(1H-indazol-6-yl)piperidine-3-carboxamide (PubChem CID 52993035) has the molecular formula C20H20N8O and a molecular weight of 388.44 g/mol. Its IUPAC name is 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(1H-indazol-6-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-imidazol-1-ylpyridazin-3-yl)-N-(1H-indazol-6-yl)piperidine-3-carboxamide
PubChem CID52993035
Molecular FormulaC20H20N8O
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC Name1-(6-imidazol-1-ylpyridazin-3-yl)-N-(1H-indazol-6-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)C1CCCN(c2ccc(-n3ccnc3)nn2)C1
InChIInChI=1S/C20H20N8O/c29-20(23-16-4-3-14-11-22-24-17(14)10-16)15-2-1-8-27(12-15)18-5-6-19(26-25-18)28-9-7-21-13-28/h3-7,9-11,13,15H,1-2,8,12H2,(H,22,24)(H,23,29)
InChIKeyZTDPWQTZUAXKMV-UHFFFAOYSA-N
XLogP2.39
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514741
N-(3,4-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514742
(3S)-N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907697
N-(3-bromophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514823
(3R)-N-(3-fluoro-4-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907702
N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514811
(3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide
CID 52907741
N-(2,5-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514846
N-(2,6-dimethylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514780
1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 90514767
1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 52993023
N-(3-chloro-2-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514810

Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(1H-indazol-6-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(1H-indazol-6-yl)piperidine-3-carboxamide (CID 52993035) is 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(1H-indazol-6-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(1H-indazol-6-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(1H-indazol-6-yl)piperidine-3-carboxamide is O=C(Nc1ccc2cn[nH]c2c1)C1CCCN(c2ccc(-n3ccnc3)nn2)C1.
What is the InChIKey of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(1H-indazol-6-yl)piperidine-3-carboxamide?
The InChIKey is ZTDPWQTZUAXKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O/c29-20(23-16-4-3-14-11-22-24-17(14)10-16)15-2-1-8-27(12-15)18-5-6-19(26-25-18)28-9-7-21-13-28/h3-7,9-11,13,15H,1-2,8,12H2,(H,22,24)(H,23,29).
What are the key properties of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(1H-indazol-6-yl)piperidine-3-carboxamide?
1-(6-imidazol-1-ylpyridazin-3-yl)-N-(1H-indazol-6-yl)piperidine-3-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(1H-indazol-6-yl)piperidine-3-carboxamide is sourced from PubChem (CID 52993035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).