N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4,6-dimethyl-2-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[(2-methoxyphenyl)methyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide

C63H56N16O4S3 — CID 159979549

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4,6-dimethyl-2-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[(2-methoxyphenyl)methyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
SMILESCOc1ccccc1CNC(=O)c1cccc(CSc2ncnc3[nH]ncc23)c1.Cc1cc(C)nc(NC(=O)c2cccc(CSc3ncnc4[nH]ncc34)c2)c1.O=C(Nc1ccc2c(c1)CCC2)c1cccc(CSc2ncnc3[nH]ncc23)c1
InChIInChI=1S/C22H19N5OS.C21H19N5O2S.C20H18N6OS/c28-21(26-18-8-7-15-4-2-5-16(15)10-18)17-6-1-3-14(9-17)12-29-22-19-11-25-27-20(19)23-13-24-22;1-28-18-8-3-2-6-16(18)10-22-20(27)15-7-4-5-14(9-15)12-29-21-17-11-25-26-19(17)23-13-24-21;1-12-6-13(2)24-17(7-12)25-19(27)15-5-3-4-14(8-15)10-28-20-16-9-23-26-18(16)21-11-22-20/h1,3,6-11,13H,2,4-5,12H2,(H,26,28)(H,23,24,25,27);2-9,11,13H,10,12H2,1H3,(H,22,27)(H,23,24,25,26);3-9,11H,10H2,1-2H3,(H,24,25,27)(H,21,22,23,26)
InChIKeyOFORZWZMMFAVSV-UHFFFAOYSA-N
MW1197.45 g/mol
LogP11.88
Rot. Bonds17

About N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4,6-dimethyl-2-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[(2-methoxyphenyl)methyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide

N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4,6-dimethyl-2-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[(2-methoxyphenyl)methyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide (PubChem CID 159979549) has the molecular formula C63H56N16O4S3 and a molecular weight of 1197.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4,6-dimethyl-2-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[(2-methoxyphenyl)methyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4,6-dimethyl-2-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[(2-methoxyphenyl)methyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
PubChem CID159979549
Molecular FormulaC63H56N16O4S3
Molecular Weight1197.45 g/mol
Exact Mass1196.38
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4,6-dimethyl-2-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[(2-methoxyphenyl)methyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
SMILESCOc1ccccc1CNC(=O)c1cccc(CSc2ncnc3[nH]ncc23)c1.Cc1cc(C)nc(NC(=O)c2cccc(CSc3ncnc4[nH]ncc34)c2)c1.O=C(Nc1ccc2c(c1)CCC2)c1cccc(CSc2ncnc3[nH]ncc23)c1
InChIInChI=1S/C22H19N5OS.C21H19N5O2S.C20H18N6OS/c28-21(26-18-8-7-15-4-2-5-16(15)10-18)17-6-1-3-14(9-17)12-29-22-19-11-25-27-20(19)23-13-24-22;1-28-18-8-3-2-6-16(18)10-22-20(27)15-7-4-5-14(9-15)12-29-21-17-11-25-26-19(17)23-13-24-21;1-12-6-13(2)24-17(7-12)25-19(27)15-5-3-4-14(8-15)10-28-20-16-9-23-26-18(16)21-11-22-20/h1,3,6-11,13H,2,4-5,12H2,(H,26,28)(H,23,24,25,27);2-9,11,13H,10,12H2,1H3,(H,22,27)(H,23,24,25,26);3-9,11H,10H2,1-2H3,(H,24,25,27)(H,21,22,23,26)
InChIKeyOFORZWZMMFAVSV-UHFFFAOYSA-N
XLogP11.88
TPSA272.80 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001197.45
LogP ≤ 511.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Analyze N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4,6-dimethyl-2-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[(2-methoxyphenyl)methyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide with MolForge

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-benzoylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 158088571
N-(6-methoxy-3-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(5-methyl-1,2-oxazol-3-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 162120055
N-(3-methoxy-4-phenylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 20597641
2-(2,5-difluorophenyl)-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]acetamide;2-hydroxy-N-[3-(pyridin-3-ylmethoxy)phenyl]bicyclo[3.2.1]octane-6-carboxamide;(E)-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]but-2-enamide;2,2,3,3-tetramethyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]cyclopropane-1-carboxamide
CID 157140920
1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[1-(1-fluoroethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-[3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]heptan-2-one;N-[5-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-pyridinyl]acetamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-(prop-1-en-2-ylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
CID 157407687
N-(4-chlorophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3,4-dimethoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-isoquinolin-5-yl-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 157948161
N-(2-methoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-methyl-4-propan-2-ylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 158318071
N-[4-(cyanomethyl)phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-fluoro-4-methoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4-methylsulfanylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 158335272
N-(3-benzylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(9-ethylcarbazol-3-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(3-phenoxyphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 159297320
(E)-3-(3-methoxyphenyl)-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]prop-2-enamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-7-carboxamide;N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]tricyclo[5.3.0.01,3]dec-5-ene-9-carboxamide
CID 159459715
N-(3-methoxy-4-phenylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-propan-2-ylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 159609171
3-(carbamothioylamino)-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;3-fluoro-4-methoxy-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide;5-methyl-N-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide
CID 159696422

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4,6-dimethyl-2-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[(2-methoxyphenyl)methyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4,6-dimethyl-2-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[(2-methoxyphenyl)methyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide (CID 159979549) is N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4,6-dimethyl-2-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[(2-methoxyphenyl)methyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4,6-dimethyl-2-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[(2-methoxyphenyl)methyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4,6-dimethyl-2-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[(2-methoxyphenyl)methyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide is COc1ccccc1CNC(=O)c1cccc(CSc2ncnc3[nH]ncc23)c1.Cc1cc(C)nc(NC(=O)c2cccc(CSc3ncnc4[nH]ncc34)c2)c1.O=C(Nc1ccc2c(c1)CCC2)c1cccc(CSc2ncnc3[nH]ncc23)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4,6-dimethyl-2-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[(2-methoxyphenyl)methyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide?
The InChIKey is OFORZWZMMFAVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5OS.C21H19N5O2S.C20H18N6OS/c28-21(26-18-8-7-15-4-2-5-16(15)10-18)17-6-1-3-14(9-17)12-29-22-19-11-25-27-20(19)23-13-24-22;1-28-18-8-3-2-6-16(18)10-22-20(27)15-7-4-5-14(9-15)12-29-21-17-11-25-26-19(17)23-13-24-21;1-12-6-13(2)24-17(7-12)25-19(27)15-5-3-4-14(8-15)10-28-20-16-9-23-26-18(16)21-11-22-20/h1,3,6-11,13H,2,4-5,12H2,(H,26,28)(H,23,24,25,27);2-9,11,13H,10,12H2,1H3,(H,22,27)(H,23,24,25,26);3-9,11H,10H2,1-2H3,(H,24,25,27)(H,21,22,23,26).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4,6-dimethyl-2-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[(2-methoxyphenyl)methyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4,6-dimethyl-2-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[(2-methoxyphenyl)methyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide has a molecular weight of 1197.45 g/mol, XLogP of 11.88, 17 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4,6-dimethyl-2-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[(2-methoxyphenyl)methyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 159979549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).