5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-N-ethyl-1H-pyrrolo[2,3-b]pyridin-4-amine

C18H20F2N4O2 — CID 86705634

IUPAC5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-N-ethyl-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCCNc1c(CNc2c(F)c(OC)cc(OC)c2F)cnc2[nH]ccc12
InChIInChI=1S/C18H20F2N4O2/c1-4-21-16-10(9-24-18-11(16)5-6-22-18)8-23-17-14(19)12(25-2)7-13(26-3)15(17)20/h5-7,9,23H,4,8H2,1-3H3,(H2,21,22,24)
InChIKeyFYNBYJUTVDEMJT-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.90
Rot. Bonds7

About 5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-N-ethyl-1H-pyrrolo[2,3-b]pyridin-4-amine

5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-N-ethyl-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 86705634) has the molecular formula C18H20F2N4O2 and a molecular weight of 362.38 g/mol. Its IUPAC name is 5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-N-ethyl-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-N-ethyl-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID86705634
Molecular FormulaC18H20F2N4O2
Molecular Weight362.38 g/mol
Exact Mass362.16
IUPAC Name5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-N-ethyl-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCCNc1c(CNc2c(F)c(OC)cc(OC)c2F)cnc2[nH]ccc12
InChIInChI=1S/C18H20F2N4O2/c1-4-21-16-10(9-24-18-11(16)5-6-22-18)8-23-17-14(19)12(25-2)7-13(26-3)15(17)20/h5-7,9,23H,4,8H2,1-3H3,(H2,21,22,24)
InChIKeyFYNBYJUTVDEMJT-UHFFFAOYSA-N
XLogP3.90
TPSA71.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chloro-6-fluoro-3,5-dimethoxyanilino)methyl]-N-[cyclobutyl(2-trimethylsilylethoxy)methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 90021997
2-chloro-5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-3-methylpyridin-4-amine
CID 142795365
1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(2,6-difluoro-3,5-dimethoxyphenyl)methanimine
CID 86705631
7-(2,6-difluoro-3,5-dimethoxyphenyl)-9,9-dimethyl-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one
CID 86705715
5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-1-methylphosphanyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 126763293
N-ethyl-4-fluoro-3,5-dimethoxyaniline
CID 10943484
N-[5-[(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-methylpropane-2-sulfinamide
CID 118211104
13-cyclopentyl-11-(2,6-difluoro-3,5-dimethoxyphenyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one
CID 129193168
N-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 116977086
2-chloro-5-[(3,5-dimethoxyanilino)methyl]-N,3-diethylpyridin-4-amine
CID 118222574
N-ethyl-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 22273641
4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 82131275

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-N-ethyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-N-ethyl-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 86705634) is 5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-N-ethyl-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-N-ethyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-N-ethyl-1H-pyrrolo[2,3-b]pyridin-4-amine is CCNc1c(CNc2c(F)c(OC)cc(OC)c2F)cnc2[nH]ccc12.
What is the InChIKey of 5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-N-ethyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is FYNBYJUTVDEMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O2/c1-4-21-16-10(9-24-18-11(16)5-6-22-18)8-23-17-14(19)12(25-2)7-13(26-3)15(17)20/h5-7,9,23H,4,8H2,1-3H3,(H2,21,22,24).
What are the key properties of 5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-N-ethyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-N-ethyl-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 362.38 g/mol, XLogP of 3.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-N-ethyl-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 86705634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).