(1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-morpholin-4-ylmethanone

C16H20N4O4S2 — CID 53066774

IUPAC(1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-morpholin-4-ylmethanone
SMILESCn1nc(C(=O)N2CCOCC2)c2c1CCN(S(=O)(=O)c1cccs1)C2
InChIInChI=1S/C16H20N4O4S2/c1-18-13-4-5-20(26(22,23)14-3-2-10-25-14)11-12(13)15(17-18)16(21)19-6-8-24-9-7-19/h2-3,10H,4-9,11H2,1H3
InChIKeyXLXZXHHADIPVHU-UHFFFAOYSA-N
MW396.49 g/mol
LogP0.70
Rot. Bonds3

About (1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-morpholin-4-ylmethanone

(1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-morpholin-4-ylmethanone (PubChem CID 53066774) has the molecular formula C16H20N4O4S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is (1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-morpholin-4-ylmethanone
PubChem CID53066774
Molecular FormulaC16H20N4O4S2
Molecular Weight396.49 g/mol
Exact Mass396.09
IUPAC Name(1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-morpholin-4-ylmethanone
SMILESCn1nc(C(=O)N2CCOCC2)c2c1CCN(S(=O)(=O)c1cccs1)C2
InChIInChI=1S/C16H20N4O4S2/c1-18-13-4-5-20(26(22,23)14-3-2-10-25-14)11-12(13)15(17-18)16(21)19-6-8-24-9-7-19/h2-3,10H,4-9,11H2,1H3
InChIKeyXLXZXHHADIPVHU-UHFFFAOYSA-N
XLogP0.70
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(4-tert-butylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 53066731
[1-methyl-5-[2-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 53066732
[5-(4-ethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 53066748
N-[2-(1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 155881976
(4-chloro-1-methylpyrazol-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 19279155
(2S)-1-morpholin-4-yl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propan-1-one
CID 95088696
(3-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2542470
1-methyl-3-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53066939
3-methyl-7-thiophen-2-ylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999986
N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide
CID 2988947
2-propan-2-yl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)phthalazin-1-one
CID 2551523
N-(3-chloro-4-fluorophenyl)-1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53066928

Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-morpholin-4-ylmethanone (CID 53066774) is (1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-morpholin-4-ylmethanone is Cn1nc(C(=O)N2CCOCC2)c2c1CCN(S(=O)(=O)c1cccs1)C2.
What is the InChIKey of (1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-morpholin-4-ylmethanone?
The InChIKey is XLXZXHHADIPVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S2/c1-18-13-4-5-20(26(22,23)14-3-2-10-25-14)11-12(13)15(17-18)16(21)19-6-8-24-9-7-19/h2-3,10H,4-9,11H2,1H3.
What are the key properties of (1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-morpholin-4-ylmethanone?
(1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-morpholin-4-ylmethanone has a molecular weight of 396.49 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 53066774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).