2,4-difluoro-N-methyl-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]aniline;5-fluoro-2,3-dimethylpyridine;formaldehyde

C24H26F3N5O3 — CID 164593621

IUPAC2,4-difluoro-N-methyl-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]aniline;5-fluoro-2,3-dimethylpyridine;formaldehyde
SMILESC=O.C=O.CNc1ccc(F)c(COc2cnc3n[nH]c(C)c3c2)c1F.Cc1cc(F)cnc1C
InChIInChI=1S/C15H14F2N4O.C7H8FN.2CH2O/c1-8-10-5-9(6-19-15(10)21-20-8)22-7-11-12(16)3-4-13(18-2)14(11)17;1-5-3-7(8)4-9-6(5)2;2*1-2/h3-6,18H,7H2,1-2H3,(H,19,20,21);3-4H,1-2H3;2*1H2
InChIKeyQZPJUAQHQFFYOM-UHFFFAOYSA-N
MW489.50 g/mol
LogP4.63
Rot. Bonds4

About 2,4-difluoro-N-methyl-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]aniline;5-fluoro-2,3-dimethylpyridine;formaldehyde

2,4-difluoro-N-methyl-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]aniline;5-fluoro-2,3-dimethylpyridine;formaldehyde (PubChem CID 164593621) has the molecular formula C24H26F3N5O3 and a molecular weight of 489.50 g/mol. Its IUPAC name is 2,4-difluoro-N-methyl-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]aniline;5-fluoro-2,3-dimethylpyridine;formaldehyde.

Molecular Properties

Compound Name2,4-difluoro-N-methyl-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]aniline;5-fluoro-2,3-dimethylpyridine;formaldehyde
PubChem CID164593621
Molecular FormulaC24H26F3N5O3
Molecular Weight489.50 g/mol
Exact Mass489.20
IUPAC Name2,4-difluoro-N-methyl-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]aniline;5-fluoro-2,3-dimethylpyridine;formaldehyde
SMILESC=O.C=O.CNc1ccc(F)c(COc2cnc3n[nH]c(C)c3c2)c1F.Cc1cc(F)cnc1C
InChIInChI=1S/C15H14F2N4O.C7H8FN.2CH2O/c1-8-10-5-9(6-19-15(10)21-20-8)22-7-11-12(16)3-4-13(18-2)14(11)17;1-5-3-7(8)4-9-6(5)2;2*1-2/h3-6,18H,7H2,1-2H3,(H,19,20,21);3-4H,1-2H3;2*1H2
InChIKeyQZPJUAQHQFFYOM-UHFFFAOYSA-N
XLogP4.63
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-chloro-2-fluoro-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide
CID 164593426
2,4-difluoro-N-methyl-3-(1H-pyrazolo[3,4-b]pyridin-5-yloxymethyl)aniline
CID 164593545
N-[3,5-difluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]-2-pyridinyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
CID 171465695
2,4-difluoro-N-methyl-3-[(3-methyl-4-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]aniline;5-fluoro-2-methoxypyridine-3-carbaldehyde;formaldehyde;molecular hydrogen
CID 164593278
N-[2,4-difluoro-3-[(4-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
CID 164593242
N-[2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
CID 171465818
5-ethenyl-3-methyl-2H-pyrazolo[3,4-b]pyridine
CID 148629869
3,5-dimethyl-2H-pyrazolo[3,4-b]pyridine
CID 59424411
1,3-difluoro-4-methyl-2-(phenoxymethyl)benzene
CID 174488029
4-fluoro-N-[(5-fluoro-2-methoxy-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-2-methyl-3-[(5-methylimidazo[1,5-b]pyridazin-3-yl)oxymethyl]aniline
CID 164593301
3-[(5E)-4-ethenyl-5-[1-(1H-imidazol-2-yl)ethylidene]pyrazin-2-yl]-2,4-difluoro-N-methylaniline;5-fluoro-2-methoxy-3-methylpyridine;formaldehyde
CID 164594821
5-ethyl-3-methyl-2H-pyrazolo[3,4-b]pyridine
CID 59824877

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-methyl-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]aniline;5-fluoro-2,3-dimethylpyridine;formaldehyde?
The IUPAC name of 2,4-difluoro-N-methyl-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]aniline;5-fluoro-2,3-dimethylpyridine;formaldehyde (CID 164593621) is 2,4-difluoro-N-methyl-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]aniline;5-fluoro-2,3-dimethylpyridine;formaldehyde.
What is the SMILES notation for 2,4-difluoro-N-methyl-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]aniline;5-fluoro-2,3-dimethylpyridine;formaldehyde?
The canonical SMILES for 2,4-difluoro-N-methyl-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]aniline;5-fluoro-2,3-dimethylpyridine;formaldehyde is C=O.C=O.CNc1ccc(F)c(COc2cnc3n[nH]c(C)c3c2)c1F.Cc1cc(F)cnc1C.
What is the InChIKey of 2,4-difluoro-N-methyl-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]aniline;5-fluoro-2,3-dimethylpyridine;formaldehyde?
The InChIKey is QZPJUAQHQFFYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O.C7H8FN.2CH2O/c1-8-10-5-9(6-19-15(10)21-20-8)22-7-11-12(16)3-4-13(18-2)14(11)17;1-5-3-7(8)4-9-6(5)2;2*1-2/h3-6,18H,7H2,1-2H3,(H,19,20,21);3-4H,1-2H3;2*1H2.
What are the key properties of 2,4-difluoro-N-methyl-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]aniline;5-fluoro-2,3-dimethylpyridine;formaldehyde?
2,4-difluoro-N-methyl-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]aniline;5-fluoro-2,3-dimethylpyridine;formaldehyde has a molecular weight of 489.50 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-methyl-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]aniline;5-fluoro-2,3-dimethylpyridine;formaldehyde is sourced from PubChem (CID 164593621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).