(7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone

C17H19N3O3S — CID 123469862

IUPAC(7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
SMILESCOc1ccc2c(c1)SCc1c(C(=O)N3CCOCC3)nn(C)c1-2
InChIInChI=1S/C17H19N3O3S/c1-19-16-12-4-3-11(22-2)9-14(12)24-10-13(16)15(18-19)17(21)20-5-7-23-8-6-20/h3-4,9H,5-8,10H2,1-2H3
InChIKeyLUGWMPYGDQKFRA-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.17
Rot. Bonds2

About (7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone

(7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone (PubChem CID 123469862) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is (7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
PubChem CID123469862
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name(7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
SMILESCOc1ccc2c(c1)SCc1c(C(=O)N3CCOCC3)nn(C)c1-2
InChIInChI=1S/C17H19N3O3S/c1-19-16-12-4-3-11(22-2)9-14(12)24-10-13(16)15(18-19)17(21)20-5-7-23-8-6-20/h3-4,9H,5-8,10H2,1-2H3
InChIKeyLUGWMPYGDQKFRA-UHFFFAOYSA-N
XLogP2.17
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(8-fluoro-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
CID 53000458
(4-methylpiperazin-1-yl)-(1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)methanone
CID 22517041
azepan-1-yl-(1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)methanone
CID 22517040
1-[4-[4-(1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 22517112
N-(2,4-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517030
[1-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 123803758
1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517044
[1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 123249872
N,N-dimethyl-3-(morpholine-4-carbonyl)-1-phenyl-4H-thiochromeno[3,4-d]pyrazole-8-carboxamide
CID 123642920
[1-[4-[(dimethylamino)methyl]phenyl]-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 123865604
[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 110336268
[3-[3-(morpholine-4-carbonyl)-4H-thiochromeno[3,4-d]pyrazol-1-yl]phenyl]methyl methanesulfinate
CID 123156332

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone (CID 123469862) is (7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone is COc1ccc2c(c1)SCc1c(C(=O)N3CCOCC3)nn(C)c1-2.
What is the InChIKey of (7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone?
The InChIKey is LUGWMPYGDQKFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-19-16-12-4-3-11(22-2)9-14(12)24-10-13(16)15(18-19)17(21)20-5-7-23-8-6-20/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of (7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone?
(7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone has a molecular weight of 345.42 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 123469862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).