N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide

C16H20N4O3S — CID 118746292

IUPACN-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC1OCCc2cn(Cc3ccccn3)nc21)C1CC1
InChIInChI=1S/C16H20N4O3S/c21-24(22,14-4-5-14)18-9-15-16-12(6-8-23-15)10-20(19-16)11-13-3-1-2-7-17-13/h1-3,7,10,14-15,18H,4-6,8-9,11H2
InChIKeyDJJSCOAVPUQUEL-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.02
Rot. Bonds6

About N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide

N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide (PubChem CID 118746292) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide
PubChem CID118746292
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC1OCCc2cn(Cc3ccccn3)nc21)C1CC1
InChIInChI=1S/C16H20N4O3S/c21-24(22,14-4-5-14)18-9-15-16-12(6-8-23-15)10-20(19-16)11-13-3-1-2-7-17-13/h1-3,7,10,14-15,18H,4-6,8-9,11H2
InChIKeyDJJSCOAVPUQUEL-UHFFFAOYSA-N
XLogP1.02
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide with MolForge

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Related Compounds

7-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
CID 118744325
N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]cyclopropanesulfonamide
CID 118745167
1-(oxan-4-yl)-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine
CID 118747137
1-[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 118747252
3-(methoxymethyl)-1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 71837262
1,5-anhydro-2,4-dideoxy-3-O-(pyridin-2-ylmethyl)-2-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]amino}-D-threo-pentitol
CID 91793360
N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;bis(2,2,2-trifluoroacetic acid)
CID 118746291
(S)-2-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-4-yl]propane-2-sulfinamide
CID 177051994
(S)-2-methyl-N-[(4R)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-4-yl]propane-2-sulfinamide
CID 177052001
(NZ,R)-2-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-7H-pyrano[3,4-c]pyrazol-4-ylidene]propane-2-sulfinamide
CID 177052007
N-(2-(3-(trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl)ethyl)pyridine-3-sulfonamide
CID 90615670
N-[(4-fluorophenyl)methyl]-1-[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine
CID 97382440

Frequently Asked Questions

What is the IUPAC name of N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide (CID 118746292) is N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide is O=S(=O)(NCC1OCCc2cn(Cc3ccccn3)nc21)C1CC1.
What is the InChIKey of N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide?
The InChIKey is DJJSCOAVPUQUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c21-24(22,14-4-5-14)18-9-15-16-12(6-8-23-15)10-20(19-16)11-13-3-1-2-7-17-13/h1-3,7,10,14-15,18H,4-6,8-9,11H2.
What are the key properties of N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide?
N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide has a molecular weight of 348.43 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 118746292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).