N-ethyl-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]pyridazine-3-carboxamide

C22H29N7OS — CID 166341158

IUPACN-ethyl-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]pyridazine-3-carboxamide
SMILESCCN(Cc1nc2c(s1)CC(C)CC2)C(=O)c1ccc(N(C)Cc2cnn(C)c2)nn1
InChIInChI=1S/C22H29N7OS/c1-5-29(14-21-24-17-7-6-15(2)10-19(17)31-21)22(30)18-8-9-20(26-25-18)27(3)12-16-11-23-28(4)13-16/h8-9,11,13,15H,5-7,10,12,14H2,1-4H3
InChIKeyRWRNYOUOSJXMTM-UHFFFAOYSA-N
MW439.59 g/mol
LogP3.09
Rot. Bonds7

About N-ethyl-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]pyridazine-3-carboxamide

N-ethyl-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]pyridazine-3-carboxamide (PubChem CID 166341158) has the molecular formula C22H29N7OS and a molecular weight of 439.59 g/mol. Its IUPAC name is N-ethyl-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]pyridazine-3-carboxamide
PubChem CID166341158
Molecular FormulaC22H29N7OS
Molecular Weight439.59 g/mol
Exact Mass439.22
IUPAC NameN-ethyl-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]pyridazine-3-carboxamide
SMILESCCN(Cc1nc2c(s1)CC(C)CC2)C(=O)c1ccc(N(C)Cc2cnn(C)c2)nn1
InChIInChI=1S/C22H29N7OS/c1-5-29(14-21-24-17-7-6-15(2)10-19(17)31-21)22(30)18-8-9-20(26-25-18)27(3)12-16-11-23-28(4)13-16/h8-9,11,13,15H,5-7,10,12,14H2,1-4H3
InChIKeyRWRNYOUOSJXMTM-UHFFFAOYSA-N
XLogP3.09
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.59
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-ethyl-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]pyridazine-3-carboxamide with MolForge

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Related Compounds

N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)pyridine-2-carboxamide
CID 46959902
N,N-dimethyl-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 127045235
N-[2-(diethylamino)ethyl]-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 127045389
N,N-dimethyl-2-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 127045546
2-[5-methyl-4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049489
2-[4-[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049734
US9777000, Example 5.18
CID 90383107
US9777000, Example 5.39
CID 90383426
1-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 25855595
N-(benzo[d]thiazol-2-yl)-N-benzyl-1-methyl-1H-pyrazole-5-carboxamide
CID 42110510
N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-propylpyridine-3-carboxamide
CID 46959877
N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-propylpyridine-4-carboxamide
CID 46959878

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]pyridazine-3-carboxamide (CID 166341158) is N-ethyl-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]pyridazine-3-carboxamide is CCN(Cc1nc2c(s1)CC(C)CC2)C(=O)c1ccc(N(C)Cc2cnn(C)c2)nn1.
What is the InChIKey of N-ethyl-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]pyridazine-3-carboxamide?
The InChIKey is RWRNYOUOSJXMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7OS/c1-5-29(14-21-24-17-7-6-15(2)10-19(17)31-21)22(30)18-8-9-20(26-25-18)27(3)12-16-11-23-28(4)13-16/h8-9,11,13,15H,5-7,10,12,14H2,1-4H3.
What are the key properties of N-ethyl-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]pyridazine-3-carboxamide?
N-ethyl-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]pyridazine-3-carboxamide has a molecular weight of 439.59 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 166341158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).