2-[7-[[2-[3-fluoro-5-[[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]methyl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-N-methylacetamide

C42H38F2N14O2 — CID 123604759

IUPAC2-[7-[[2-[3-fluoro-5-[[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]methyl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc2nccc(Nc3cc(-c4nc(C)c(CNC(=O)Cn5ncc6nccc(Nc7cc(-c8nc(C)ccc8F)ncc7C)c65)cc4F)ncc3C)c2n1
InChIInChI=1S/C42H38F2N14O2/c1-22-15-49-34(13-31(22)54-29-8-10-47-36-19-57(56-41(29)36)20-37(59)45-5)40-28(44)12-26(25(4)53-40)17-50-38(60)21-58-42-30(9-11-46-35(42)18-51-58)55-32-14-33(48-16-23(32)2)39-27(43)7-6-24(3)52-39/h6-16,18-19H,17,20-21H2,1-5H3,(H,45,59)(H,49,54)(H,50,60)(H,46,48,55)
InChIKeyBKFYVTOGSJIXHM-UHFFFAOYSA-N
MW808.86 g/mol
LogP6.15
Rot. Bonds12

About 2-[7-[[2-[3-fluoro-5-[[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]methyl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-N-methylacetamide

2-[7-[[2-[3-fluoro-5-[[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]methyl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-N-methylacetamide (PubChem CID 123604759) has the molecular formula C42H38F2N14O2 and a molecular weight of 808.86 g/mol. Its IUPAC name is 2-[7-[[2-[3-fluoro-5-[[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]methyl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[7-[[2-[3-fluoro-5-[[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]methyl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-N-methylacetamide
PubChem CID123604759
Molecular FormulaC42H38F2N14O2
Molecular Weight808.86 g/mol
Exact Mass808.33
IUPAC Name2-[7-[[2-[3-fluoro-5-[[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]methyl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc2nccc(Nc3cc(-c4nc(C)c(CNC(=O)Cn5ncc6nccc(Nc7cc(-c8nc(C)ccc8F)ncc7C)c65)cc4F)ncc3C)c2n1
InChIInChI=1S/C42H38F2N14O2/c1-22-15-49-34(13-31(22)54-29-8-10-47-36-19-57(56-41(29)36)20-37(59)45-5)40-28(44)12-26(25(4)53-40)17-50-38(60)21-58-42-30(9-11-46-35(42)18-51-58)55-32-14-33(48-16-23(32)2)39-27(43)7-6-24(3)52-39/h6-16,18-19H,17,20-21H2,1-5H3,(H,45,59)(H,49,54)(H,50,60)(H,46,48,55)
InChIKeyBKFYVTOGSJIXHM-UHFFFAOYSA-N
XLogP6.15
TPSA195.24 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500808.86
LogP ≤ 56.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 2-[7-[[2-[3-fluoro-5-[[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]methyl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-N-methylacetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[5-(2,6-difluorophenyl)-2-pyridinyl]methyl]-2-(12-fluoro-5,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,10(15),11,13-hexaen-16-yl)acetamide
CID 121277778
2-[7-[[2-(2,5-Difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide
CID 54670694
2-[7-[[2-(2,5-Difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
CID 54670695
1-(6-benzyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-2-[(2R,5R)-2-[(4-fluoropyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone
CID 90232067
(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(6-pyridin-3-yl-3-pyridinyl)propanamide
CID 117671078
2-methyl-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137110717
2-[7-[[2-(2-fluoro-5-methylphenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-N-methylacetamide
CID 137636739
2-[7-[[2-(2-Fluoro-5-methylphenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
CID 137649478
2-[7-[[2-(2-Fluoro-5-methylphenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide
CID 137652467
2-[7-[[2-(2-fluoro-5-methylphenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]-N-methylacetamide
CID 137656600
2-[4-(2,1,3-benzothiadiazol-5-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-(3-fluorophenyl)acetamide
CID 155534844
2-[4-(2,1,3-benzothiadiazol-5-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 155546010

Frequently Asked Questions

What is the IUPAC name of 2-[7-[[2-[3-fluoro-5-[[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]methyl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-N-methylacetamide?
The IUPAC name of 2-[7-[[2-[3-fluoro-5-[[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]methyl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-N-methylacetamide (CID 123604759) is 2-[7-[[2-[3-fluoro-5-[[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]methyl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[7-[[2-[3-fluoro-5-[[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]methyl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[7-[[2-[3-fluoro-5-[[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]methyl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-N-methylacetamide is CNC(=O)Cn1cc2nccc(Nc3cc(-c4nc(C)c(CNC(=O)Cn5ncc6nccc(Nc7cc(-c8nc(C)ccc8F)ncc7C)c65)cc4F)ncc3C)c2n1.
What is the InChIKey of 2-[7-[[2-[3-fluoro-5-[[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]methyl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-N-methylacetamide?
The InChIKey is BKFYVTOGSJIXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38F2N14O2/c1-22-15-49-34(13-31(22)54-29-8-10-47-36-19-57(56-41(29)36)20-37(59)45-5)40-28(44)12-26(25(4)53-40)17-50-38(60)21-58-42-30(9-11-46-35(42)18-51-58)55-32-14-33(48-16-23(32)2)39-27(43)7-6-24(3)52-39/h6-16,18-19H,17,20-21H2,1-5H3,(H,45,59)(H,49,54)(H,50,60)(H,46,48,55).
What are the key properties of 2-[7-[[2-[3-fluoro-5-[[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]methyl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-N-methylacetamide?
2-[7-[[2-[3-fluoro-5-[[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]methyl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-N-methylacetamide has a molecular weight of 808.86 g/mol, XLogP of 6.15, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[[2-[3-fluoro-5-[[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]methyl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-N-methylacetamide is sourced from PubChem (CID 123604759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).