6-cyclopropyl-2-[4-[(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)amino]cyclohexyl]pyridazin-3-one

C20H25N5O3S — CID 126935253

IUPAC6-cyclopropyl-2-[4-[(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)amino]cyclohexyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1CCC(Nc2cc3c(nn2)CCS(=O)(=O)C3)CC1
InChIInChI=1S/C20H25N5O3S/c26-20-8-7-18(13-1-2-13)24-25(20)16-5-3-15(4-6-16)21-19-11-14-12-29(27,28)10-9-17(14)22-23-19/h7-8,11,13,15-16H,1-6,9-10,12H2,(H,21,23)
InChIKeyPWDCJNHSUMWGNK-UHFFFAOYSA-N
MW415.52 g/mol
LogP1.98
Rot. Bonds4

About 6-cyclopropyl-2-[4-[(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)amino]cyclohexyl]pyridazin-3-one

6-cyclopropyl-2-[4-[(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)amino]cyclohexyl]pyridazin-3-one (PubChem CID 126935253) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is 6-cyclopropyl-2-[4-[(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)amino]cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[4-[(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)amino]cyclohexyl]pyridazin-3-one
PubChem CID126935253
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC Name6-cyclopropyl-2-[4-[(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)amino]cyclohexyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1CCC(Nc2cc3c(nn2)CCS(=O)(=O)C3)CC1
InChIInChI=1S/C20H25N5O3S/c26-20-8-7-18(13-1-2-13)24-25(20)16-5-3-15(4-6-16)21-19-11-14-12-29(27,28)10-9-17(14)22-23-19/h7-8,11,13,15-16H,1-6,9-10,12H2,(H,21,23)
InChIKeyPWDCJNHSUMWGNK-UHFFFAOYSA-N
XLogP1.98
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-cyclopropyl-2-[4-[(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)amino]cyclohexyl]pyridazin-3-one with MolForge

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Related Compounds

6-methyl-2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)cyclohexyl]pyridazin-3-one
CID 126934872
6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile
CID 126935035
2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937273
6-cyclopropyl-2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]pyridazin-3-one
CID 126935074
6-cyclopropyl-2-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
CID 126935165
2-cyclobutyl-6-cyclopropylpyridazin-3-one
CID 126857338
6-cyclopropyl-2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]pyridazin-3-one
CID 126935075
2-[4-[(6-cyclopropylpyrimidin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one
CID 126934708
N-[1-(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889915
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide
CID 126934979
6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one
CID 126935236
6-cyclopropyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one
CID 126935221

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[4-[(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)amino]cyclohexyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[4-[(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)amino]cyclohexyl]pyridazin-3-one (CID 126935253) is 6-cyclopropyl-2-[4-[(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)amino]cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[4-[(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)amino]cyclohexyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[4-[(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)amino]cyclohexyl]pyridazin-3-one is O=c1ccc(C2CC2)nn1C1CCC(Nc2cc3c(nn2)CCS(=O)(=O)C3)CC1.
What is the InChIKey of 6-cyclopropyl-2-[4-[(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)amino]cyclohexyl]pyridazin-3-one?
The InChIKey is PWDCJNHSUMWGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S/c26-20-8-7-18(13-1-2-13)24-25(20)16-5-3-15(4-6-16)21-19-11-14-12-29(27,28)10-9-17(14)22-23-19/h7-8,11,13,15-16H,1-6,9-10,12H2,(H,21,23).
What are the key properties of 6-cyclopropyl-2-[4-[(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)amino]cyclohexyl]pyridazin-3-one?
6-cyclopropyl-2-[4-[(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)amino]cyclohexyl]pyridazin-3-one has a molecular weight of 415.52 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[4-[(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)amino]cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126935253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).