N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide

C17H21N5O2S — CID 128858849

IUPACN-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
SMILESCn1nc2c(cc1=O)CN(C(=O)Nc1nc3c(s1)CCC3(C)C)CC2
InChIInChI=1S/C17H21N5O2S/c1-17(2)6-4-12-14(17)18-15(25-12)19-16(24)22-7-5-11-10(9-22)8-13(23)21(3)20-11/h8H,4-7,9H2,1-3H3,(H,18,19,24)
InChIKeyUHQYYTAKKLGHNM-UHFFFAOYSA-N
MW359.46 g/mol
LogP2.05
Rot. Bonds1

About N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide

N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide (PubChem CID 128858849) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
PubChem CID128858849
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC NameN-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
SMILESCn1nc2c(cc1=O)CN(C(=O)Nc1nc3c(s1)CCC3(C)C)CC2
InChIInChI=1S/C17H21N5O2S/c1-17(2)6-4-12-14(17)18-15(25-12)19-16(24)22-7-5-11-10(9-22)8-13(23)21(3)20-11/h8H,4-7,9H2,1-3H3,(H,18,19,24)
InChIKeyUHQYYTAKKLGHNM-UHFFFAOYSA-N
XLogP2.05
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide with MolForge

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Related Compounds

N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide
CID 128859088
2-methyl-3-oxo-N-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
CID 167875844
2-methyl-N-[(4-methylphenyl)methyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
CID 91894577
N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
CID 127413299
1-[(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122093933
2-methyl-6-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 124504824
N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)prop-2-enamide
CID 166406954
(3S,4R)-3-cyano-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-phenylpyrrolidine-1-carboxamide
CID 128859243
6-[2-(2-methoxycyclobutyl)acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 166309090
6-[2-[(1R,2S,4R)-2-amino-4-hydroxycyclobutyl]acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 166355177
6-(3-methoxybenzoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 136529400
6-(4,4-dimethylcyclohexyl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 91652726

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide?
The IUPAC name of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide (CID 128858849) is N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide?
The canonical SMILES for N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide is Cn1nc2c(cc1=O)CN(C(=O)Nc1nc3c(s1)CCC3(C)C)CC2.
What is the InChIKey of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide?
The InChIKey is UHQYYTAKKLGHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-17(2)6-4-12-14(17)18-15(25-12)19-16(24)22-7-5-11-10(9-22)8-13(23)21(3)20-11/h8H,4-7,9H2,1-3H3,(H,18,19,24).
What are the key properties of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide?
N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide has a molecular weight of 359.46 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 128858849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).