N-[4-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)oxolan-3-yl]quinoxaline-2-carboxamide

C20H19N5O3S — CID 126939679

IUPACN-[4-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)oxolan-3-yl]quinoxaline-2-carboxamide
SMILESO=C(NC1COCC1n1nc2c(cc1=O)CSCC2)c1cnc2ccccc2n1
InChIInChI=1S/C20H19N5O3S/c26-19-7-12-11-29-6-5-13(12)24-25(19)18-10-28-9-17(18)23-20(27)16-8-21-14-3-1-2-4-15(14)22-16/h1-4,7-8,17-18H,5-6,9-11H2,(H,23,27)
InChIKeyCOKDRJPAMOLSAB-UHFFFAOYSA-N
MW409.47 g/mol
LogP1.35
Rot. Bonds3

About N-[4-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)oxolan-3-yl]quinoxaline-2-carboxamide

N-[4-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)oxolan-3-yl]quinoxaline-2-carboxamide (PubChem CID 126939679) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[4-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)oxolan-3-yl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)oxolan-3-yl]quinoxaline-2-carboxamide
PubChem CID126939679
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC NameN-[4-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)oxolan-3-yl]quinoxaline-2-carboxamide
SMILESO=C(NC1COCC1n1nc2c(cc1=O)CSCC2)c1cnc2ccccc2n1
InChIInChI=1S/C20H19N5O3S/c26-19-7-12-11-29-6-5-13(12)24-25(19)18-10-28-9-17(18)23-20(27)16-8-21-14-3-1-2-4-15(14)22-16/h1-4,7-8,17-18H,5-6,9-11H2,(H,23,27)
InChIKeyCOKDRJPAMOLSAB-UHFFFAOYSA-N
XLogP1.35
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-N-[4-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)oxolan-3-yl]indazole-3-carboxamide
CID 126939702
2-[4-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126939755
2-[4-[(6-cyclopropylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126939741
2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126939742
6-(dimethylamino)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)oxolan-3-yl]pyridazine-3-carboxamide
CID 126939455
2-[4-(1H-benzimidazol-2-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939505
2-(1H-indol-3-yl)-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]acetamide
CID 126939195
N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 126939204
2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
CID 126940053
2-[4-(cyclobutylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939561
2-[4-(phthalazin-1-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939567
N-[(3R,4S)-4-hydroxyoxolan-3-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide
CID 166381470

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)oxolan-3-yl]quinoxaline-2-carboxamide?
The IUPAC name of N-[4-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)oxolan-3-yl]quinoxaline-2-carboxamide (CID 126939679) is N-[4-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)oxolan-3-yl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[4-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)oxolan-3-yl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[4-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)oxolan-3-yl]quinoxaline-2-carboxamide is O=C(NC1COCC1n1nc2c(cc1=O)CSCC2)c1cnc2ccccc2n1.
What is the InChIKey of N-[4-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)oxolan-3-yl]quinoxaline-2-carboxamide?
The InChIKey is COKDRJPAMOLSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c26-19-7-12-11-29-6-5-13(12)24-25(19)18-10-28-9-17(18)23-20(27)16-8-21-14-3-1-2-4-15(14)22-16/h1-4,7-8,17-18H,5-6,9-11H2,(H,23,27).
What are the key properties of N-[4-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)oxolan-3-yl]quinoxaline-2-carboxamide?
N-[4-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)oxolan-3-yl]quinoxaline-2-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)oxolan-3-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 126939679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).