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

C17H26N4O4S — CID 126935996

IUPACN-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-1-sulfonamide
SMILESO=c1cc2c(nn1C1CCC(NS(=O)(=O)N3CCCC3)CC1)CCOC2
InChIInChI=1S/C17H26N4O4S/c22-17-11-13-12-25-10-7-16(13)18-21(17)15-5-3-14(4-6-15)19-26(23,24)20-8-1-2-9-20/h11,14-15,19H,1-10,12H2
InChIKeyODGVJWXPAPHWRV-UHFFFAOYSA-N
MW382.49 g/mol
LogP0.73
Rot. Bonds4

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

N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-1-sulfonamide (PubChem CID 126935996) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-1-sulfonamide
PubChem CID126935996
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC NameN-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-1-sulfonamide
SMILESO=c1cc2c(nn1C1CCC(NS(=O)(=O)N3CCCC3)CC1)CCOC2
InChIInChI=1S/C17H26N4O4S/c22-17-11-13-12-25-10-7-16(13)18-21(17)15-5-3-14(4-6-15)19-26(23,24)20-8-1-2-9-20/h11,14-15,19H,1-10,12H2
InChIKeyODGVJWXPAPHWRV-UHFFFAOYSA-N
XLogP0.73
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936168
2-[4-(1,3,4-thiadiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936143
2-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936115
2-[4-(1,3-thiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936025
2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936122
N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide
CID 126935905
2-[4-[(3-chloro-4-pyridinyl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936009
2-[4-(quinolin-4-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936054
2-[4-[(3-cyclobutyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936118
1-methyl-5-oxo-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-3-carboxamide
CID 126935967
N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 126935960
N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrrolidine-1-sulfonamide
CID 126934326

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-1-sulfonamide (CID 126935996) is N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-1-sulfonamide is O=c1cc2c(nn1C1CCC(NS(=O)(=O)N3CCCC3)CC1)CCOC2.
What is the InChIKey of N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-1-sulfonamide?
The InChIKey is ODGVJWXPAPHWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c22-17-11-13-12-25-10-7-16(13)18-21(17)15-5-3-14(4-6-15)19-26(23,24)20-8-1-2-9-20/h11,14-15,19H,1-10,12H2.
What are the key properties of N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-1-sulfonamide?
N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-1-sulfonamide has a molecular weight of 382.49 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 126935996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).