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

C38H32F2N12 — CID 123299749

IUPAC1-[[3-fluoro-6-methyl-2-[5-methyl-4-[(2-methylpyrazolo[4,3-b]pyridin-7-yl)amino]-2-pyridinyl]-4-pyridinyl]methyl]-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine
SMILESCc1ccc(F)c(-c2cc(Nc3ccnc4cnn(Cc5cc(C)nc(-c6cc(Nc7ccnc8cn(C)nc78)c(C)cn6)c5F)c34)c(C)cn2)n1
InChIInChI=1S/C38H32F2N12/c1-20-16-44-31(14-28(20)48-26-8-10-42-33-19-51(5)50-36(26)33)37-34(40)24(12-23(4)47-37)18-52-38-27(9-11-41-32(38)17-45-52)49-29-13-30(43-15-21(29)2)35-25(39)7-6-22(3)46-35/h6-17,19H,18H2,1-5H3,(H,44,48)(H,41,43,49)
InChIKeyYGDQPQUWDZFMDI-UHFFFAOYSA-N
MW694.75 g/mol
LogP7.67
Rot. Bonds8

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

1-[[3-fluoro-6-methyl-2-[5-methyl-4-[(2-methylpyrazolo[4,3-b]pyridin-7-yl)amino]-2-pyridinyl]-4-pyridinyl]methyl]-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 123299749) has the molecular formula C38H32F2N12 and a molecular weight of 694.75 g/mol. Its IUPAC name is 1-[[3-fluoro-6-methyl-2-[5-methyl-4-[(2-methylpyrazolo[4,3-b]pyridin-7-yl)amino]-2-pyridinyl]-4-pyridinyl]methyl]-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound Name1-[[3-fluoro-6-methyl-2-[5-methyl-4-[(2-methylpyrazolo[4,3-b]pyridin-7-yl)amino]-2-pyridinyl]-4-pyridinyl]methyl]-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine
PubChem CID123299749
Molecular FormulaC38H32F2N12
Molecular Weight694.75 g/mol
Exact Mass694.28
IUPAC Name1-[[3-fluoro-6-methyl-2-[5-methyl-4-[(2-methylpyrazolo[4,3-b]pyridin-7-yl)amino]-2-pyridinyl]-4-pyridinyl]methyl]-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine
SMILESCc1ccc(F)c(-c2cc(Nc3ccnc4cnn(Cc5cc(C)nc(-c6cc(Nc7ccnc8cn(C)nc78)c(C)cn6)c5F)c34)c(C)cn2)n1
InChIInChI=1S/C38H32F2N12/c1-20-16-44-31(14-28(20)48-26-8-10-42-33-19-51(5)50-36(26)33)37-34(40)24(12-23(4)47-37)18-52-38-27(9-11-41-32(38)17-45-52)49-29-13-30(43-15-21(29)2)35-25(39)7-6-22(3)46-35/h6-17,19H,18H2,1-5H3,(H,44,48)(H,41,43,49)
InChIKeyYGDQPQUWDZFMDI-UHFFFAOYSA-N
XLogP7.67
TPSA137.04 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500694.75
LogP ≤ 57.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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

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Launch Full Analysis

Related Compounds

1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
N-[2-(5-Chloro-2-Fluorophenyl)pyridin-4-Yl]-2-[(Piperidin-4-Yl)methyl]-2h-Pyrazolo[4,3-B]pyridin-7-Amine
CID 54671256
N-(2-(2,5-difluorophenyl)-5-methylpyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671061
5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253727
N-(2-(2,5-difluorophenyl)pyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54670693
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-[7-[[2-(2,5-Difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propan-2-ol
CID 67469574
1-[7-[[2-(2,5-Difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol
CID 67470405
N-[2-(2-fluoro-5-methylphenyl)-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 67470496
(3S)-1-[3-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-4-pyridinyl]piperidin-3-amine
CID 71253520
3-(pyridin-2-yl)-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253646

Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-6-methyl-2-[5-methyl-4-[(2-methylpyrazolo[4,3-b]pyridin-7-yl)amino]-2-pyridinyl]-4-pyridinyl]methyl]-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of 1-[[3-fluoro-6-methyl-2-[5-methyl-4-[(2-methylpyrazolo[4,3-b]pyridin-7-yl)amino]-2-pyridinyl]-4-pyridinyl]methyl]-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine (CID 123299749) is 1-[[3-fluoro-6-methyl-2-[5-methyl-4-[(2-methylpyrazolo[4,3-b]pyridin-7-yl)amino]-2-pyridinyl]-4-pyridinyl]methyl]-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for 1-[[3-fluoro-6-methyl-2-[5-methyl-4-[(2-methylpyrazolo[4,3-b]pyridin-7-yl)amino]-2-pyridinyl]-4-pyridinyl]methyl]-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for 1-[[3-fluoro-6-methyl-2-[5-methyl-4-[(2-methylpyrazolo[4,3-b]pyridin-7-yl)amino]-2-pyridinyl]-4-pyridinyl]methyl]-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine is Cc1ccc(F)c(-c2cc(Nc3ccnc4cnn(Cc5cc(C)nc(-c6cc(Nc7ccnc8cn(C)nc78)c(C)cn6)c5F)c34)c(C)cn2)n1.
What is the InChIKey of 1-[[3-fluoro-6-methyl-2-[5-methyl-4-[(2-methylpyrazolo[4,3-b]pyridin-7-yl)amino]-2-pyridinyl]-4-pyridinyl]methyl]-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is YGDQPQUWDZFMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32F2N12/c1-20-16-44-31(14-28(20)48-26-8-10-42-33-19-51(5)50-36(26)33)37-34(40)24(12-23(4)47-37)18-52-38-27(9-11-41-32(38)17-45-52)49-29-13-30(43-15-21(29)2)35-25(39)7-6-22(3)46-35/h6-17,19H,18H2,1-5H3,(H,44,48)(H,41,43,49).
What are the key properties of 1-[[3-fluoro-6-methyl-2-[5-methyl-4-[(2-methylpyrazolo[4,3-b]pyridin-7-yl)amino]-2-pyridinyl]-4-pyridinyl]methyl]-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine?
1-[[3-fluoro-6-methyl-2-[5-methyl-4-[(2-methylpyrazolo[4,3-b]pyridin-7-yl)amino]-2-pyridinyl]-4-pyridinyl]methyl]-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 694.75 g/mol, XLogP of 7.67, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-6-methyl-2-[5-methyl-4-[(2-methylpyrazolo[4,3-b]pyridin-7-yl)amino]-2-pyridinyl]-4-pyridinyl]methyl]-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 123299749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).