3-fluoro-4-[2-fluoro-4-[[2-methyl-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-triazol-3-yl]amino]phenyl]pyridin-2-amine

C24H24F2N8 — CID 177157676

IUPAC3-fluoro-4-[2-fluoro-4-[[2-methyl-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-triazol-3-yl]amino]phenyl]pyridin-2-amine
SMILESCC1CCN(c2ccc(-c3nc(Nc4ccc(-c5ccnc(N)c5F)c(F)c4)n(C)n3)cn2)C1
InChIInChI=1S/C24H24F2N8/c1-14-8-10-34(13-14)20-6-3-15(12-29-20)23-31-24(33(2)32-23)30-16-4-5-17(19(25)11-16)18-7-9-28-22(27)21(18)26/h3-7,9,11-12,14H,8,10,13H2,1-2H3,(H2,27,28)(H,30,31,32)
InChIKeyCUHXNWFEIWCBGI-UHFFFAOYSA-N
MW462.51 g/mol
LogP4.39
Rot. Bonds5

About 3-fluoro-4-[2-fluoro-4-[[2-methyl-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-triazol-3-yl]amino]phenyl]pyridin-2-amine

3-fluoro-4-[2-fluoro-4-[[2-methyl-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-triazol-3-yl]amino]phenyl]pyridin-2-amine (PubChem CID 177157676) has the molecular formula C24H24F2N8 and a molecular weight of 462.51 g/mol. Its IUPAC name is 3-fluoro-4-[2-fluoro-4-[[2-methyl-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-triazol-3-yl]amino]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-4-[2-fluoro-4-[[2-methyl-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-triazol-3-yl]amino]phenyl]pyridin-2-amine
PubChem CID177157676
Molecular FormulaC24H24F2N8
Molecular Weight462.51 g/mol
Exact Mass462.21
IUPAC Name3-fluoro-4-[2-fluoro-4-[[2-methyl-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-triazol-3-yl]amino]phenyl]pyridin-2-amine
SMILESCC1CCN(c2ccc(-c3nc(Nc4ccc(-c5ccnc(N)c5F)c(F)c4)n(C)n3)cn2)C1
InChIInChI=1S/C24H24F2N8/c1-14-8-10-34(13-14)20-6-3-15(12-29-20)23-31-24(33(2)32-23)30-16-4-5-17(19(25)11-16)18-7-9-28-22(27)21(18)26/h3-7,9,11-12,14H,8,10,13H2,1-2H3,(H2,27,28)(H,30,31,32)
InChIKeyCUHXNWFEIWCBGI-UHFFFAOYSA-N
XLogP4.39
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-fluoro-4-[2-fluoro-4-[[2-methyl-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-triazol-3-yl]amino]phenyl]pyridin-2-amine with MolForge

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Related Compounds

3-chloro-4-[2-fluoro-4-[[5-(6-fluoro-3-pyridinyl)-2-methyl-1,2,4-triazol-3-yl]amino]phenyl]pyridin-2-amine
CID 177157471
(3S,4R)-1-[5-[5-[3-fluoro-4-(5-fluoro-1H-pyrazol-4-yl)anilino]-1-methyl-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methylpyrrolidin-3-ol
CID 177157461
4-[4-[[5-[6-[3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]-2-methyl-1,2,4-triazol-3-yl]amino]phenyl]pyrimidin-2-amine
CID 177157340
5-[6-[6-(difluoromethyl)-2-azaspiro[3.3]heptan-2-yl]-3-pyridinyl]-N-[3-fluoro-4-(5-fluoro-1H-pyrazol-3-yl)phenyl]-2-methyl-1,2,4-triazol-3-amine
CID 177157108
[1-[5-[5-[4-(2-aminopyrimidin-4-yl)anilino]-1-methyl-1,2,4-triazol-3-yl]-2-pyridinyl]azetidin-3-yl]methanol
CID 177157366
1-[5-[5-[4-(2-aminopyrimidin-4-yl)anilino]-1-methyl-1,2,4-triazol-3-yl]-2-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 177157274
4-[4-[[5-[6-[3-[2,2-difluoroethyl(methyl)amino]azetidin-1-yl]-3-pyridinyl]-2-methyl-1,2,4-triazol-3-yl]amino]phenyl]pyrimidin-2-amine
CID 177157296
4-[4-[[5-[6-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-3-pyridinyl]-2-methyl-1,2,4-triazol-3-yl]amino]phenyl]pyrimidin-2-amine
CID 177157522
4-[5-[4-(2-amino-3-fluoro-4-pyridinyl)anilino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 177157611
4-[[5-[5-[3-fluoro-4-(5-fluoro-1H-pyrazol-4-yl)anilino]-1-methyl-1,2,4-triazol-3-yl]-2-pyridinyl]oxy]oxolan-3-ol
CID 177157566
4-[4-[[5-[6-[3-(difluoromethoxymethyl)-3-fluoroazetidin-1-yl]-3-pyridinyl]-2-methyl-1,2,4-triazol-3-yl]amino]phenyl]pyrimidin-2-amine
CID 177157044
N-(3-chloro-4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901029

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-fluoro-4-[[2-methyl-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-triazol-3-yl]amino]phenyl]pyridin-2-amine?
The IUPAC name of 3-fluoro-4-[2-fluoro-4-[[2-methyl-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-triazol-3-yl]amino]phenyl]pyridin-2-amine (CID 177157676) is 3-fluoro-4-[2-fluoro-4-[[2-methyl-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-triazol-3-yl]amino]phenyl]pyridin-2-amine.
What is the SMILES notation for 3-fluoro-4-[2-fluoro-4-[[2-methyl-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-triazol-3-yl]amino]phenyl]pyridin-2-amine?
The canonical SMILES for 3-fluoro-4-[2-fluoro-4-[[2-methyl-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-triazol-3-yl]amino]phenyl]pyridin-2-amine is CC1CCN(c2ccc(-c3nc(Nc4ccc(-c5ccnc(N)c5F)c(F)c4)n(C)n3)cn2)C1.
What is the InChIKey of 3-fluoro-4-[2-fluoro-4-[[2-methyl-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-triazol-3-yl]amino]phenyl]pyridin-2-amine?
The InChIKey is CUHXNWFEIWCBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N8/c1-14-8-10-34(13-14)20-6-3-15(12-29-20)23-31-24(33(2)32-23)30-16-4-5-17(19(25)11-16)18-7-9-28-22(27)21(18)26/h3-7,9,11-12,14H,8,10,13H2,1-2H3,(H2,27,28)(H,30,31,32).
What are the key properties of 3-fluoro-4-[2-fluoro-4-[[2-methyl-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-triazol-3-yl]amino]phenyl]pyridin-2-amine?
3-fluoro-4-[2-fluoro-4-[[2-methyl-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-triazol-3-yl]amino]phenyl]pyridin-2-amine has a molecular weight of 462.51 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-fluoro-4-[[2-methyl-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-1,2,4-triazol-3-yl]amino]phenyl]pyridin-2-amine is sourced from PubChem (CID 177157676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).