N-[2-[5-amino-1-[6-(3-chlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide

C26H22ClFN6O4S — CID 137358924

IUPACN-[2-[5-amino-1-[6-(3-chlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide
SMILESCc1cc(Oc2cccc(Cl)c2)nc(C)c1-n1ncc(C(=O)c2cc3cc(F)c(NS(C)(=O)=O)cc3[nH]2)c1N
InChIInChI=1S/C26H22ClFN6O4S/c1-13-7-23(38-17-6-4-5-16(27)10-17)31-14(2)24(13)34-26(29)18(12-30-34)25(35)22-9-15-8-19(28)21(11-20(15)32-22)33-39(3,36)37/h4-12,32-33H,29H2,1-3H3
InChIKeyFNBDDZJWWWSEGI-UHFFFAOYSA-N
MW569.02 g/mol
LogP5.13
Rot. Bonds7

About N-[2-[5-amino-1-[6-(3-chlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide

N-[2-[5-amino-1-[6-(3-chlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide (PubChem CID 137358924) has the molecular formula C26H22ClFN6O4S and a molecular weight of 569.02 g/mol. Its IUPAC name is N-[2-[5-amino-1-[6-(3-chlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-amino-1-[6-(3-chlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide
PubChem CID137358924
Molecular FormulaC26H22ClFN6O4S
Molecular Weight569.02 g/mol
Exact Mass568.11
IUPAC NameN-[2-[5-amino-1-[6-(3-chlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide
SMILESCc1cc(Oc2cccc(Cl)c2)nc(C)c1-n1ncc(C(=O)c2cc3cc(F)c(NS(C)(=O)=O)cc3[nH]2)c1N
InChIInChI=1S/C26H22ClFN6O4S/c1-13-7-23(38-17-6-4-5-16(27)10-17)31-14(2)24(13)34-26(29)18(12-30-34)25(35)22-9-15-8-19(28)21(11-20(15)32-22)33-39(3,36)37/h4-12,32-33H,29H2,1-3H3
InChIKeyFNBDDZJWWWSEGI-UHFFFAOYSA-N
XLogP5.13
TPSA144.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.02
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[5-amino-1-[6-(2,5-dichlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide
CID 146258217
N-[2-[5-amino-1-(2-methyl-4-phenoxyphenyl)pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]methanesulfonamide
CID 145211535
N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-2,4,6-trifluorobenzenesulfonamide
CID 137358983
[5-amino-1-[2,6-dichloro-4-(2-fluorophenoxy)phenyl]pyrazol-4-yl]-[5-fluoro-6-(methylsulfanylamino)-1H-indol-2-yl]methanone
CID 145211689
[5-amino-1-(2-fluoro-6-methyl-4-phenoxyphenyl)pyrazol-4-yl]-[6-chloro-5-(methylsulfanylamino)-1H-indol-2-yl]methanone;ethane;methanethiol
CID 145211070
[5-amino-1-[4-(2-fluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-[5-fluoro-6-(methylsulfanylamino)-1H-indol-2-yl]methanone
CID 145211383
N-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]oxane-4-sulfonamide
CID 134448841
N-[2-[5-amino-1-[4-(2-fluorophenoxy)-2-methylphenyl]pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]oxane-4-sulfonamide
CID 137359190
N-[2-[5-amino-1-[2-fluoro-4-(2-fluorophenoxy)-6-methylphenyl]pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]morpholine-4-sulfonamide
CID 137359051
[5-amino-1-[4-(2-fluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-[5-fluoro-6-[(methoxyamino)sulfanylamino]-1H-indol-2-yl]methanone
CID 146258169
[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazol-4-yl]-[5-iodo-6-(methylsulfanylamino)-1H-indol-2-yl]methanone
CID 146577747
[5-amino-1-[4-(2-fluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-[5-fluoro-6-[[(3-methyloxetan-3-yl)amino]sulfanylamino]-1H-indol-2-yl]methanone
CID 146258150

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-amino-1-[6-(3-chlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide?
The IUPAC name of N-[2-[5-amino-1-[6-(3-chlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide (CID 137358924) is N-[2-[5-amino-1-[6-(3-chlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-amino-1-[6-(3-chlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide?
The canonical SMILES for N-[2-[5-amino-1-[6-(3-chlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide is Cc1cc(Oc2cccc(Cl)c2)nc(C)c1-n1ncc(C(=O)c2cc3cc(F)c(NS(C)(=O)=O)cc3[nH]2)c1N.
What is the InChIKey of N-[2-[5-amino-1-[6-(3-chlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide?
The InChIKey is FNBDDZJWWWSEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN6O4S/c1-13-7-23(38-17-6-4-5-16(27)10-17)31-14(2)24(13)34-26(29)18(12-30-34)25(35)22-9-15-8-19(28)21(11-20(15)32-22)33-39(3,36)37/h4-12,32-33H,29H2,1-3H3.
What are the key properties of N-[2-[5-amino-1-[6-(3-chlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide?
N-[2-[5-amino-1-[6-(3-chlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide has a molecular weight of 569.02 g/mol, XLogP of 5.13, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-amino-1-[6-(3-chlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide is sourced from PubChem (CID 137358924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).