4-imidazo[1,2-b]pyridazin-6-yl-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide

C17H21N7OS — CID 126432065

IUPAC4-imidazo[1,2-b]pyridazin-6-yl-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide
SMILESCc1nc([C@@H](C)NC(=O)N2CCN(c3ccc4nccn4n3)CC2)cs1
InChIInChI=1S/C17H21N7OS/c1-12(14-11-26-13(2)20-14)19-17(25)23-9-7-22(8-10-23)16-4-3-15-18-5-6-24(15)21-16/h3-6,11-12H,7-10H2,1-2H3,(H,19,25)/t12-/m1/s1
InChIKeyVPYYZBFPYRIWON-GFCCVEGCSA-N
MW371.47 g/mol
LogP2.09
Rot. Bonds3

About 4-imidazo[1,2-b]pyridazin-6-yl-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide

4-imidazo[1,2-b]pyridazin-6-yl-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide (PubChem CID 126432065) has the molecular formula C17H21N7OS and a molecular weight of 371.47 g/mol. Its IUPAC name is 4-imidazo[1,2-b]pyridazin-6-yl-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-imidazo[1,2-b]pyridazin-6-yl-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide
PubChem CID126432065
Molecular FormulaC17H21N7OS
Molecular Weight371.47 g/mol
Exact Mass371.15
IUPAC Name4-imidazo[1,2-b]pyridazin-6-yl-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide
SMILESCc1nc([C@@H](C)NC(=O)N2CCN(c3ccc4nccn4n3)CC2)cs1
InChIInChI=1S/C17H21N7OS/c1-12(14-11-26-13(2)20-14)19-17(25)23-9-7-22(8-10-23)16-4-3-15-18-5-6-24(15)21-16/h3-6,11-12H,7-10H2,1-2H3,(H,19,25)/t12-/m1/s1
InChIKeyVPYYZBFPYRIWON-GFCCVEGCSA-N
XLogP2.09
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-imidazo[1,2-b]pyridazin-6-yl-N-[(1R)-1-(1-methylpyrazol-4-yl)propyl]piperazine-1-carboxamide
CID 126443604
4-[2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 91834184
(2S)-1-(azepan-1-yl)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)propan-1-one
CID 125157813
N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 95760970
1-[4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 91830679
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone
CID 118792467
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone
CID 118760650
5,8-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71923068
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 90653625
1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-morpholin-4-ylbutan-1-one
CID 90650152
N-(1,3-dihydro-2-benzofuran-5-yl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide
CID 118787828
formic acid;4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one
CID 154904776

Frequently Asked Questions

What is the IUPAC name of 4-imidazo[1,2-b]pyridazin-6-yl-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-imidazo[1,2-b]pyridazin-6-yl-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide (CID 126432065) is 4-imidazo[1,2-b]pyridazin-6-yl-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-imidazo[1,2-b]pyridazin-6-yl-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-imidazo[1,2-b]pyridazin-6-yl-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide is Cc1nc([C@@H](C)NC(=O)N2CCN(c3ccc4nccn4n3)CC2)cs1.
What is the InChIKey of 4-imidazo[1,2-b]pyridazin-6-yl-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is VPYYZBFPYRIWON-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N7OS/c1-12(14-11-26-13(2)20-14)19-17(25)23-9-7-22(8-10-23)16-4-3-15-18-5-6-24(15)21-16/h3-6,11-12H,7-10H2,1-2H3,(H,19,25)/t12-/m1/s1.
What are the key properties of 4-imidazo[1,2-b]pyridazin-6-yl-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide?
4-imidazo[1,2-b]pyridazin-6-yl-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[1,2-b]pyridazin-6-yl-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 126432065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).