tert-butyl N-[2-[(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)methyl]-4-fluorophenyl]carbamate

C21H24FN3O2 — CID 11574234

IUPACtert-butyl N-[2-[(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)methyl]-4-fluorophenyl]carbamate
SMILESCc1[nH]c2c(Cc3cc(F)ccc3NC(=O)OC(C)(C)C)nccc2c1C
InChIInChI=1S/C21H24FN3O2/c1-12-13(2)24-19-16(12)8-9-23-18(19)11-14-10-15(22)6-7-17(14)25-20(26)27-21(3,4)5/h6-10,24H,11H2,1-5H3,(H,25,26)
InChIKeyLTCHOLMWHLZTCS-UHFFFAOYSA-N
MW369.44 g/mol
LogP5.26
Rot. Bonds3

About tert-butyl N-[2-[(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)methyl]-4-fluorophenyl]carbamate

tert-butyl N-[2-[(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)methyl]-4-fluorophenyl]carbamate (PubChem CID 11574234) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is tert-butyl N-[2-[(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)methyl]-4-fluorophenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)methyl]-4-fluorophenyl]carbamate
PubChem CID11574234
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Nametert-butyl N-[2-[(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)methyl]-4-fluorophenyl]carbamate
SMILESCc1[nH]c2c(Cc3cc(F)ccc3NC(=O)OC(C)(C)C)nccc2c1C
InChIInChI=1S/C21H24FN3O2/c1-12-13(2)24-19-16(12)8-9-23-18(19)11-14-10-15(22)6-7-17(14)25-20(26)27-21(3,4)5/h6-10,24H,11H2,1-5H3,(H,25,26)
InChIKeyLTCHOLMWHLZTCS-UHFFFAOYSA-N
XLogP5.26
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.44
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-[(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)methyl]-4-fluorophenyl]carbamate with MolForge

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Related Compounds

tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
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tert-butyl N-[4-fluoro-2-(propanoylamino)phenyl]carbamate
CID 56783735
tert-butyl N-[2-[[(1-ethylpyrazol-4-yl)amino]methyl]-4-fluorophenyl]carbamate
CID 136558664
tert-butyl N-[4-fluoro-2-(pyrimidin-4-ylmethylamino)phenyl]carbamate
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tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]carbamate
CID 68583241
tert-butyl N-[2-fluoro-4-[2-(3-methyl-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)ethyl]phenyl]carbamate
CID 90320302
tert-butyl N-[4-(3-acetamido-2-pyridinyl)-1-(2,5-difluorophenyl)-3-oxobutan-2-yl]carbamate
CID 77156867
tert-butyl N-(6-fluoro-1-benzofuran-3-yl)carbamate
CID 130116518
ethyl 5-[5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2H-triazole-4-carboxylate
CID 169400231
tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate
CID 173186178
tert-butyl N-[(2S,3S)-1-[4-fluoro-2-(hydroxymethyl)anilino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 163293047

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)methyl]-4-fluorophenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)methyl]-4-fluorophenyl]carbamate (CID 11574234) is tert-butyl N-[2-[(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)methyl]-4-fluorophenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)methyl]-4-fluorophenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)methyl]-4-fluorophenyl]carbamate is Cc1[nH]c2c(Cc3cc(F)ccc3NC(=O)OC(C)(C)C)nccc2c1C.
What is the InChIKey of tert-butyl N-[2-[(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)methyl]-4-fluorophenyl]carbamate?
The InChIKey is LTCHOLMWHLZTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-12-13(2)24-19-16(12)8-9-23-18(19)11-14-10-15(22)6-7-17(14)25-20(26)27-21(3,4)5/h6-10,24H,11H2,1-5H3,(H,25,26).
What are the key properties of tert-butyl N-[2-[(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)methyl]-4-fluorophenyl]carbamate?
tert-butyl N-[2-[(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)methyl]-4-fluorophenyl]carbamate has a molecular weight of 369.44 g/mol, XLogP of 5.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)methyl]-4-fluorophenyl]carbamate is sourced from PubChem (CID 11574234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).