N-(5-methyl-1,3-thiazol-2-yl)-2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidine-1-carboxamide

C17H21N5O3S — CID 126925089

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCCC2Cn2nc3c(cc2=O)COCC3)s1
InChIInChI=1S/C17H21N5O3S/c1-11-8-18-16(26-11)19-17(24)21-5-2-3-13(21)9-22-15(23)7-12-10-25-6-4-14(12)20-22/h7-8,13H,2-6,9-10H2,1H3,(H,18,19,24)
InChIKeyXYPWRRHXIMNPII-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.78
Rot. Bonds3

About N-(5-methyl-1,3-thiazol-2-yl)-2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidine-1-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 126925089) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID126925089
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCCC2Cn2nc3c(cc2=O)COCC3)s1
InChIInChI=1S/C17H21N5O3S/c1-11-8-18-16(26-11)19-17(24)21-5-2-3-13(21)9-22-15(23)7-12-10-25-6-4-14(12)20-22/h7-8,13H,2-6,9-10H2,1H3,(H,18,19,24)
InChIKeyXYPWRRHXIMNPII-UHFFFAOYSA-N
XLogP1.78
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-methyl-1,3-thiazol-2-yl)-2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925057
2-[[1-(5-bromofuran-2-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925058
2-[[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925085
2-[[1-(7-methoxy-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925054
2-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925125
2-[[1-[2-(1,2-benzoxazol-3-yl)acetyl]pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925075
(2R)-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55150045
2-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925182
2-[[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924639
2-[[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924654
2-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925102
2-[[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924276

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidine-1-carboxamide (CID 126925089) is N-(5-methyl-1,3-thiazol-2-yl)-2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidine-1-carboxamide is Cc1cnc(NC(=O)N2CCCC2Cn2nc3c(cc2=O)COCC3)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is XYPWRRHXIMNPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-11-8-18-16(26-11)19-17(24)21-5-2-3-13(21)9-22-15(23)7-12-10-25-6-4-14(12)20-22/h7-8,13H,2-6,9-10H2,1H3,(H,18,19,24).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidine-1-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 126925089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).