[3-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)cyclobutyl]-methylcarbamic acid

C13H14FN3O2 — CID 156565935

IUPAC[3-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)cyclobutyl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CC(n2ccc3cc(F)cnc32)C1
InChIInChI=1S/C13H14FN3O2/c1-16(13(18)19)10-5-11(6-10)17-3-2-8-4-9(14)7-15-12(8)17/h2-4,7,10-11H,5-6H2,1H3,(H,18,19)
InChIKeyNXQYHEGLZWSWQM-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.49
Rot. Bonds2

About [3-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)cyclobutyl]-methylcarbamic acid

[3-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)cyclobutyl]-methylcarbamic acid (PubChem CID 156565935) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is [3-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)cyclobutyl]-methylcarbamic acid.

Molecular Properties

Compound Name[3-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)cyclobutyl]-methylcarbamic acid
PubChem CID156565935
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name[3-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)cyclobutyl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CC(n2ccc3cc(F)cnc32)C1
InChIInChI=1S/C13H14FN3O2/c1-16(13(18)19)10-5-11(6-10)17-3-2-8-4-9(14)7-15-12(8)17/h2-4,7,10-11H,5-6H2,1H3,(H,18,19)
InChIKeyNXQYHEGLZWSWQM-UHFFFAOYSA-N
XLogP2.49
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)cyclobutyl]-N-methylcarbamate
CID 166067218
N,N-dimethyl-3-pyrrolo[2,3-d]pyrimidin-7-ylcyclobutan-1-amine;ethane
CID 162389083
5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine;propanoic acid
CID 66907523
5-methyl-1-piperidin-4-ylpyrrolo[2,3-b]pyridine
CID 117223788
2-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)acetic acid
CID 84780075
5-fluoro-1-[(1S)-1-iodoethyl]pyrrolo[2,3-b]pyridine
CID 174031450
N,N-dimethyl-3-pyrrolo[3,2-c]pyridin-1-ylcyclobutan-1-amine
CID 162388724
1-[(1R,3R)-3-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-3-methylurea
CID 142463037
1-[3-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-3-methylurea
CID 146523307
6-fluoro-N-methyl-N-phenylquinoline-3-carboxamide
CID 110489844
1-[4-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-3-methylurea
CID 142463062
5-fluoro-N-methyl-N-(4-oxocyclohexyl)pyridine-2-carboxamide
CID 104638616

Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)cyclobutyl]-methylcarbamic acid?
The IUPAC name of [3-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)cyclobutyl]-methylcarbamic acid (CID 156565935) is [3-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)cyclobutyl]-methylcarbamic acid.
What is the SMILES notation for [3-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)cyclobutyl]-methylcarbamic acid?
The canonical SMILES for [3-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)cyclobutyl]-methylcarbamic acid is CN(C(=O)O)C1CC(n2ccc3cc(F)cnc32)C1.
What is the InChIKey of [3-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)cyclobutyl]-methylcarbamic acid?
The InChIKey is NXQYHEGLZWSWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-16(13(18)19)10-5-11(6-10)17-3-2-8-4-9(14)7-15-12(8)17/h2-4,7,10-11H,5-6H2,1H3,(H,18,19).
What are the key properties of [3-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)cyclobutyl]-methylcarbamic acid?
[3-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)cyclobutyl]-methylcarbamic acid has a molecular weight of 263.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)cyclobutyl]-methylcarbamic acid is sourced from PubChem (CID 156565935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).