N-[2,4-difluoro-3-[[6-(4-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-2-yl)pyrido[3,2-d]pyrimidin-4-yl]amino]phenyl]-3-fluoro-2-methylbenzenesulfonamide

C27H23F3N8O2S — CID 172879089

IUPACN-[2,4-difluoro-3-[[6-(4-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-2-yl)pyrido[3,2-d]pyrimidin-4-yl]amino]phenyl]-3-fluoro-2-methylbenzenesulfonamide
SMILESCc1c(F)cccc1S(=O)(=O)Nc1ccc(F)c(Nc2ncnc3ccc(-n4cc5c(n4)CCCN5C)nc23)c1F
InChIInChI=1S/C27H23F3N8O2S/c1-15-16(28)5-3-7-22(15)41(39,40)36-19-9-8-17(29)25(24(19)30)34-27-26-20(31-14-32-27)10-11-23(33-26)38-13-21-18(35-38)6-4-12-37(21)2/h3,5,7-11,13-14,36H,4,6,12H2,1-2H3,(H,31,32,34)
InChIKeyQFUKNCCXFFSKPV-UHFFFAOYSA-N
MW580.60 g/mol
LogP4.86
Rot. Bonds6

About N-[2,4-difluoro-3-[[6-(4-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-2-yl)pyrido[3,2-d]pyrimidin-4-yl]amino]phenyl]-3-fluoro-2-methylbenzenesulfonamide

N-[2,4-difluoro-3-[[6-(4-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-2-yl)pyrido[3,2-d]pyrimidin-4-yl]amino]phenyl]-3-fluoro-2-methylbenzenesulfonamide (PubChem CID 172879089) has the molecular formula C27H23F3N8O2S and a molecular weight of 580.60 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[[6-(4-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-2-yl)pyrido[3,2-d]pyrimidin-4-yl]amino]phenyl]-3-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-[[6-(4-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-2-yl)pyrido[3,2-d]pyrimidin-4-yl]amino]phenyl]-3-fluoro-2-methylbenzenesulfonamide
PubChem CID172879089
Molecular FormulaC27H23F3N8O2S
Molecular Weight580.60 g/mol
Exact Mass580.16
IUPAC NameN-[2,4-difluoro-3-[[6-(4-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-2-yl)pyrido[3,2-d]pyrimidin-4-yl]amino]phenyl]-3-fluoro-2-methylbenzenesulfonamide
SMILESCc1c(F)cccc1S(=O)(=O)Nc1ccc(F)c(Nc2ncnc3ccc(-n4cc5c(n4)CCCN5C)nc23)c1F
InChIInChI=1S/C27H23F3N8O2S/c1-15-16(28)5-3-7-22(15)41(39,40)36-19-9-8-17(29)25(24(19)30)34-27-26-20(31-14-32-27)10-11-23(33-26)38-13-21-18(35-38)6-4-12-37(21)2/h3,5,7-11,13-14,36H,4,6,12H2,1-2H3,(H,31,32,34)
InChIKeyQFUKNCCXFFSKPV-UHFFFAOYSA-N
XLogP4.86
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.60
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2,4-difluoro-3-[[6-(4-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-2-yl)pyrido[3,2-d]pyrimidin-4-yl]amino]phenyl]-3-fluoro-2-methylbenzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

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CID 68319455
2-[4-(N-(3-Dimethylaminopropyl)sulphamoyl)anilino]-
CID 5288595
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CID 24949548
N-(3-(3-(9H-purin-6-yl)pyridin-2-ylamino)-2,4-difluorophenyl)pyridin-3-sulfonamide
CID 57345328
N-tert-butyl-3-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide
CID 57401173
1-(3-Fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
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Imidazo[1,2-b]pyridazine deriv. 2d
CID 6539040
N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-1H-pyrazole-4-sulfonamide
CID 127045770
2,4,6-trimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide
CID 16665289

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[[6-(4-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-2-yl)pyrido[3,2-d]pyrimidin-4-yl]amino]phenyl]-3-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[2,4-difluoro-3-[[6-(4-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-2-yl)pyrido[3,2-d]pyrimidin-4-yl]amino]phenyl]-3-fluoro-2-methylbenzenesulfonamide (CID 172879089) is N-[2,4-difluoro-3-[[6-(4-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-2-yl)pyrido[3,2-d]pyrimidin-4-yl]amino]phenyl]-3-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-[[6-(4-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-2-yl)pyrido[3,2-d]pyrimidin-4-yl]amino]phenyl]-3-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-[[6-(4-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-2-yl)pyrido[3,2-d]pyrimidin-4-yl]amino]phenyl]-3-fluoro-2-methylbenzenesulfonamide is Cc1c(F)cccc1S(=O)(=O)Nc1ccc(F)c(Nc2ncnc3ccc(-n4cc5c(n4)CCCN5C)nc23)c1F.
What is the InChIKey of N-[2,4-difluoro-3-[[6-(4-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-2-yl)pyrido[3,2-d]pyrimidin-4-yl]amino]phenyl]-3-fluoro-2-methylbenzenesulfonamide?
The InChIKey is QFUKNCCXFFSKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N8O2S/c1-15-16(28)5-3-7-22(15)41(39,40)36-19-9-8-17(29)25(24(19)30)34-27-26-20(31-14-32-27)10-11-23(33-26)38-13-21-18(35-38)6-4-12-37(21)2/h3,5,7-11,13-14,36H,4,6,12H2,1-2H3,(H,31,32,34).
What are the key properties of N-[2,4-difluoro-3-[[6-(4-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-2-yl)pyrido[3,2-d]pyrimidin-4-yl]amino]phenyl]-3-fluoro-2-methylbenzenesulfonamide?
N-[2,4-difluoro-3-[[6-(4-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-2-yl)pyrido[3,2-d]pyrimidin-4-yl]amino]phenyl]-3-fluoro-2-methylbenzenesulfonamide has a molecular weight of 580.60 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-[[6-(4-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-2-yl)pyrido[3,2-d]pyrimidin-4-yl]amino]phenyl]-3-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 172879089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).