2-fluoro-5-methyl-N-[4-[4-(morpholin-2-ylmethoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]benzenesulfonamide

C23H23FN6O4S — CID 118720602

IUPAC2-fluoro-5-methyl-N-[4-[4-(morpholin-2-ylmethoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3nc(OCC4CNCCO4)c4cn[nH]c4n3)cc2)c1
InChIInChI=1S/C23H23FN6O4S/c1-14-2-7-19(24)20(10-14)35(31,32)30-16-5-3-15(4-6-16)21-27-22-18(12-26-29-22)23(28-21)34-13-17-11-25-8-9-33-17/h2-7,10,12,17,25,30H,8-9,11,13H2,1H3,(H,26,27,28,29)
InChIKeyUAVUYSNDFXWICV-UHFFFAOYSA-N
MW498.54 g/mol
LogP2.64
Rot. Bonds7

About 2-fluoro-5-methyl-N-[4-[4-(morpholin-2-ylmethoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]benzenesulfonamide

2-fluoro-5-methyl-N-[4-[4-(morpholin-2-ylmethoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]benzenesulfonamide (PubChem CID 118720602) has the molecular formula C23H23FN6O4S and a molecular weight of 498.54 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[4-[4-(morpholin-2-ylmethoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[4-[4-(morpholin-2-ylmethoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]benzenesulfonamide
PubChem CID118720602
Molecular FormulaC23H23FN6O4S
Molecular Weight498.54 g/mol
Exact Mass498.15
IUPAC Name2-fluoro-5-methyl-N-[4-[4-(morpholin-2-ylmethoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3nc(OCC4CNCCO4)c4cn[nH]c4n3)cc2)c1
InChIInChI=1S/C23H23FN6O4S/c1-14-2-7-19(24)20(10-14)35(31,32)30-16-5-3-15(4-6-16)21-27-22-18(12-26-29-22)23(28-21)34-13-17-11-25-8-9-33-17/h2-7,10,12,17,25,30H,8-9,11,13H2,1H3,(H,26,27,28,29)
InChIKeyUAVUYSNDFXWICV-UHFFFAOYSA-N
XLogP2.64
TPSA131.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-fluoro-5-methoxy-N-[4-[4-(morpholin-2-ylmethylsulfanyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]benzenesulfonamide
CID 155784217
(2S,4R)-1-[(2S)-2-[[2-[2-[2-[6-[(2R)-2-[[6-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxymethyl]morpholin-4-yl]hexoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 139035049
2-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]morpholine
CID 114469123
(2S)-2-[(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)oxymethyl]morpholine;methanesulfonic acid
CID 88515801
N-[6-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxane-4-carboxamide
CID 71538116
2,5-dichloro-N-[4-(4-morpholin-4-yl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)phenyl]benzenesulfonamide
CID 90421196
4-fluoro-3-methyl-N-(2-morpholin-2-ylethyl)aniline
CID 115239076
5-chloro-N-[4-[4-[3-(dimethylamino)propoxy]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-2-fluorobenzenesulfonamide
CID 164580925
N-[4-(3-amino-4-propoxy-2H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]-2,5-difluorobenzenesulfonamide
CID 86268177
3-[[6-[4-[(5-chloro-2-fluorophenyl)sulfonylamino]phenyl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy]-N,N-dimethylpropanamide
CID 166626705
2-[(3-fluoro-2-pyridinyl)oxymethyl]morpholine
CID 114468958
N-(4-ethylsulfonylphenyl)-2-fluoro-5-methylbenzenesulfonamide
CID 60531678

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[4-[4-(morpholin-2-ylmethoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-5-methyl-N-[4-[4-(morpholin-2-ylmethoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]benzenesulfonamide (CID 118720602) is 2-fluoro-5-methyl-N-[4-[4-(morpholin-2-ylmethoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-[4-[4-(morpholin-2-ylmethoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-methyl-N-[4-[4-(morpholin-2-ylmethoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]benzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3nc(OCC4CNCCO4)c4cn[nH]c4n3)cc2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-[4-[4-(morpholin-2-ylmethoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]benzenesulfonamide?
The InChIKey is UAVUYSNDFXWICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O4S/c1-14-2-7-19(24)20(10-14)35(31,32)30-16-5-3-15(4-6-16)21-27-22-18(12-26-29-22)23(28-21)34-13-17-11-25-8-9-33-17/h2-7,10,12,17,25,30H,8-9,11,13H2,1H3,(H,26,27,28,29).
What are the key properties of 2-fluoro-5-methyl-N-[4-[4-(morpholin-2-ylmethoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]benzenesulfonamide?
2-fluoro-5-methyl-N-[4-[4-(morpholin-2-ylmethoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]benzenesulfonamide has a molecular weight of 498.54 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-[4-[4-(morpholin-2-ylmethoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 118720602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).