tert-butyl N-[1-[3-fluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]ethyl]carbamate

C21H26FN5O2 — CID 86693667

IUPACtert-butyl N-[1-[3-fluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1ccc(N(C)c2cc3c(cn2)ncn3C)c(F)c1
InChIInChI=1S/C21H26FN5O2/c1-13(25-20(28)29-21(2,3)4)14-7-8-17(15(22)9-14)27(6)19-10-18-16(11-23-19)24-12-26(18)5/h7-13H,1-6H3,(H,25,28)
InChIKeyNLDFJXODEFBCBZ-UHFFFAOYSA-N
MW399.47 g/mol
LogP4.46
Rot. Bonds4

About tert-butyl N-[1-[3-fluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]ethyl]carbamate

tert-butyl N-[1-[3-fluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]ethyl]carbamate (PubChem CID 86693667) has the molecular formula C21H26FN5O2 and a molecular weight of 399.47 g/mol. Its IUPAC name is tert-butyl N-[1-[3-fluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-fluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]ethyl]carbamate
PubChem CID86693667
Molecular FormulaC21H26FN5O2
Molecular Weight399.47 g/mol
Exact Mass399.21
IUPAC Nametert-butyl N-[1-[3-fluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1ccc(N(C)c2cc3c(cn2)ncn3C)c(F)c1
InChIInChI=1S/C21H26FN5O2/c1-13(25-20(28)29-21(2,3)4)14-7-8-17(15(22)9-14)27(6)19-10-18-16(11-23-19)24-12-26(18)5/h7-13H,1-6H3,(H,25,28)
InChIKeyNLDFJXODEFBCBZ-UHFFFAOYSA-N
XLogP4.46
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-[3-fluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]ethyl]carbamate with MolForge

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Related Compounds

Gsk-3494245
CID 126571915
Pumaprazole
CID 3052764
Tert-Butyl [(1r,3r)-3-(Imidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(6h)-Yl)cyclopentyl]carbamate
CID 53341503
1-[4-[8-Amino-3-(1-methylcyclopropyl)imidazo[1,5-a]pyrazin-1-yl]-3-fluorophenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 121596789
4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-imidazo[1,2-a]pyridin-3-yl)-N-((S)-1-phenylethyl)pyrimidin-2-amine
CID 10162057
(S)-1-ethyl-3-(1-(2-(1-phenylethylamino)pyrimidin-4-yl)-1H-benzo[d]imidazol-5-yl)imidazolidin-2-one
CID 18342784
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}ethylamine
CID 24746214
Cyclopropyl{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24746216
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}propylamine
CID 24746217
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(2-methoxyethyl)amine
CID 24746218
Cyclobutyl{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24746383
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(3-methoxypropyl)amine
CID 24746385

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-fluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-fluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]ethyl]carbamate (CID 86693667) is tert-butyl N-[1-[3-fluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-fluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-fluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]ethyl]carbamate is CC(NC(=O)OC(C)(C)C)c1ccc(N(C)c2cc3c(cn2)ncn3C)c(F)c1.
What is the InChIKey of tert-butyl N-[1-[3-fluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]ethyl]carbamate?
The InChIKey is NLDFJXODEFBCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O2/c1-13(25-20(28)29-21(2,3)4)14-7-8-17(15(22)9-14)27(6)19-10-18-16(11-23-19)24-12-26(18)5/h7-13H,1-6H3,(H,25,28).
What are the key properties of tert-butyl N-[1-[3-fluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]ethyl]carbamate?
tert-butyl N-[1-[3-fluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]ethyl]carbamate has a molecular weight of 399.47 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-fluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]ethyl]carbamate is sourced from PubChem (CID 86693667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).