(3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

C18H20N6OS — CID 52907681

IUPAC(3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccs1)[C@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1
InChIInChI=1S/C18H20N6OS/c25-18(20-11-15-4-2-10-26-15)14-3-1-8-23(12-14)16-5-6-17(22-21-16)24-9-7-19-13-24/h2,4-7,9-10,13-14H,1,3,8,11-12H2,(H,20,25)/t14-/m0/s1
InChIKeyQIKMMKXORGKTHX-AWEZNQCLSA-N
MW368.47 g/mol
LogP2.26
Rot. Bonds5

About (3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

(3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 52907681) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is (3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID52907681
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name(3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccs1)[C@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1
InChIInChI=1S/C18H20N6OS/c25-18(20-11-15-4-2-10-26-15)14-3-1-8-23(12-14)16-5-6-17(22-21-16)24-9-7-19-13-24/h2,4-7,9-10,13-14H,1,3,8,11-12H2,(H,20,25)/t14-/m0/s1
InChIKeyQIKMMKXORGKTHX-AWEZNQCLSA-N
XLogP2.26
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1-(6-chloropyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 51983817
(3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 52907743
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 56764920
1-(6-morpholin-4-ylpyridazin-3-yl)-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 46329050
(3R)-1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 95369261
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
N-(4-fluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514741
(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
1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 52993023
N-(3,4-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514742

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 52907681) is (3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1cccs1)[C@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1.
What is the InChIKey of (3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is QIKMMKXORGKTHX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N6OS/c25-18(20-11-15-4-2-10-26-15)14-3-1-8-23(12-14)16-5-6-17(22-21-16)24-9-7-19-13-24/h2,4-7,9-10,13-14H,1,3,8,11-12H2,(H,20,25)/t14-/m0/s1.
What are the key properties of (3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
(3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 52907681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).