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

C20H22F6N4O7S — CID 118746291

IUPACN-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=S(=O)(NCC1OCCc2cn(Cc3ccccn3)nc21)C1CC1
InChIInChI=1S/C16H20N4O3S.2C2HF3O2/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;2*3-2(4,5)1(6)7/h1-3,7,10,14-15,18H,4-6,8-9,11H2;2*(H,6,7)
InChIKeyYFFAUTZITGMSRQ-UHFFFAOYSA-N
MW576.47 g/mol
LogP2.29
Rot. Bonds6

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

N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746291) has the molecular formula C20H22F6N4O7S and a molecular weight of 576.47 g/mol. Its IUPAC name is N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID118746291
Molecular FormulaC20H22F6N4O7S
Molecular Weight576.47 g/mol
Exact Mass576.11
IUPAC NameN-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=S(=O)(NCC1OCCc2cn(Cc3ccccn3)nc21)C1CC1
InChIInChI=1S/C16H20N4O3S.2C2HF3O2/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;2*3-2(4,5)1(6)7/h1-3,7,10,14-15,18H,4-6,8-9,11H2;2*(H,6,7)
InChIKeyYFFAUTZITGMSRQ-UHFFFAOYSA-N
XLogP2.29
TPSA160.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.47
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide
CID 118746292
N-[[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
CID 118743142
N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide;2,2,2-trifluoroacetic acid
CID 118743937
7-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2,2,2-trifluoroacetic acid
CID 118744324
5-ethylsulfonyl-3-(pyridin-3-ylmethoxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole;2,2,2-trifluoroacetic acid
CID 118744515
N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
CID 118745166
3-(methoxymethyl)-1-propan-2-yl-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 118746180
1-(oxan-4-yl)-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine;tris(2,2,2-trifluoroacetic acid)
CID 118747136
1-[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(pyridin-4-ylmethyl)methanamine;tris(2,2,2-trifluoroacetic acid)
CID 118747251
(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

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;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 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) is N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.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;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is YFFAUTZITGMSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S.2C2HF3O2/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;2*3-2(4,5)1(6)7/h1-3,7,10,14-15,18H,4-6,8-9,11H2;2*(H,6,7).
What are the key properties of N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;bis(2,2,2-trifluoroacetic acid)?
N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]cyclopropanesulfonamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 576.47 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 8 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;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).