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

C44H42F2N14O2 — CID 123262807

IUPACN-ethyl-2-[7-[[2-[3-fluoro-6-[2-[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]propyl]-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
SMILESCCNC(=O)Cn1cc2nccc(Nc3cc(-c4nc(CC(C)NC(=O)Cn5ncc6nccc(Nc7cc(-c8nc(C)ccc8F)ncc7C)c65)ccc4F)ncc3C)c2n1
InChIInChI=1S/C44H42F2N14O2/c1-6-47-39(61)22-59-21-38-43(58-59)31(11-13-49-38)56-33-16-36(51-18-24(33)2)42-30(46)10-8-28(55-42)15-27(5)53-40(62)23-60-44-32(12-14-48-37(44)20-52-60)57-34-17-35(50-19-25(34)3)41-29(45)9-7-26(4)54-41/h7-14,16-21,27H,6,15,22-23H2,1-5H3,(H,47,61)(H,51,56)(H,53,62)(H,48,50,57)
InChIKeyIGYOWGGAZBAIBM-UHFFFAOYSA-N
MW836.91 g/mol
LogP6.66
Rot. Bonds14

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

N-ethyl-2-[7-[[2-[3-fluoro-6-[2-[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]propyl]-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide (PubChem CID 123262807) has the molecular formula C44H42F2N14O2 and a molecular weight of 836.91 g/mol. Its IUPAC name is N-ethyl-2-[7-[[2-[3-fluoro-6-[2-[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]propyl]-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[7-[[2-[3-fluoro-6-[2-[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]propyl]-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
PubChem CID123262807
Molecular FormulaC44H42F2N14O2
Molecular Weight836.91 g/mol
Exact Mass836.36
IUPAC NameN-ethyl-2-[7-[[2-[3-fluoro-6-[2-[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]propyl]-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
SMILESCCNC(=O)Cn1cc2nccc(Nc3cc(-c4nc(CC(C)NC(=O)Cn5ncc6nccc(Nc7cc(-c8nc(C)ccc8F)ncc7C)c65)ccc4F)ncc3C)c2n1
InChIInChI=1S/C44H42F2N14O2/c1-6-47-39(61)22-59-21-38-43(58-59)31(11-13-49-38)56-33-16-36(51-18-24(33)2)42-30(46)10-8-28(55-42)15-27(5)53-40(62)23-60-44-32(12-14-48-37(44)20-52-60)57-34-17-35(50-19-25(34)3)41-29(45)9-7-26(4)54-41/h7-14,16-21,27H,6,15,22-23H2,1-5H3,(H,47,61)(H,51,56)(H,53,62)(H,48,50,57)
InChIKeyIGYOWGGAZBAIBM-UHFFFAOYSA-N
XLogP6.66
TPSA195.24 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500836.91
LogP ≤ 56.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze N-ethyl-2-[7-[[2-[3-fluoro-6-[2-[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]propyl]-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide 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-[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-[3-Methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide
CID 58379504
N-methyl-4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxamide
CID 58379647
1-(6-benzyl-3,3-dimethyl-2H-pyrrolo[3,2-c]pyridin-1-yl)-2-[(2R,5R)-5-methyl-2-(pyrazol-1-ylmethyl)piperazin-1-yl]ethanone
CID 70980290

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[7-[[2-[3-fluoro-6-[2-[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]propyl]-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide?
The IUPAC name of N-ethyl-2-[7-[[2-[3-fluoro-6-[2-[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]propyl]-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide (CID 123262807) is N-ethyl-2-[7-[[2-[3-fluoro-6-[2-[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]propyl]-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[7-[[2-[3-fluoro-6-[2-[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]propyl]-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide?
The canonical SMILES for N-ethyl-2-[7-[[2-[3-fluoro-6-[2-[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]propyl]-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide is CCNC(=O)Cn1cc2nccc(Nc3cc(-c4nc(CC(C)NC(=O)Cn5ncc6nccc(Nc7cc(-c8nc(C)ccc8F)ncc7C)c65)ccc4F)ncc3C)c2n1.
What is the InChIKey of N-ethyl-2-[7-[[2-[3-fluoro-6-[2-[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]propyl]-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide?
The InChIKey is IGYOWGGAZBAIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42F2N14O2/c1-6-47-39(61)22-59-21-38-43(58-59)31(11-13-49-38)56-33-16-36(51-18-24(33)2)42-30(46)10-8-28(55-42)15-27(5)53-40(62)23-60-44-32(12-14-48-37(44)20-52-60)57-34-17-35(50-19-25(34)3)41-29(45)9-7-26(4)54-41/h7-14,16-21,27H,6,15,22-23H2,1-5H3,(H,47,61)(H,51,56)(H,53,62)(H,48,50,57).
What are the key properties of N-ethyl-2-[7-[[2-[3-fluoro-6-[2-[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]propyl]-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide?
N-ethyl-2-[7-[[2-[3-fluoro-6-[2-[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]propyl]-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide has a molecular weight of 836.91 g/mol, XLogP of 6.66, 14 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[7-[[2-[3-fluoro-6-[2-[[2-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetyl]amino]propyl]-2-pyridinyl]-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide is sourced from PubChem (CID 123262807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).