(1-cyclobutyl-5-fluoro-6-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine

C13H16FN3 — CID 168956774

IUPAC(1-cyclobutyl-5-fluoro-6-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine
SMILESCc1nc2c(cc1F)c(CN)cn2C1CCC1
InChIInChI=1S/C13H16FN3/c1-8-12(14)5-11-9(6-15)7-17(13(11)16-8)10-3-2-4-10/h5,7,10H,2-4,6,15H2,1H3
InChIKeyJOKURFSBXXKDIQ-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.67
Rot. Bonds2

About (1-cyclobutyl-5-fluoro-6-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine

(1-cyclobutyl-5-fluoro-6-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine (PubChem CID 168956774) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is (1-cyclobutyl-5-fluoro-6-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine.

Molecular Properties

Compound Name(1-cyclobutyl-5-fluoro-6-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine
PubChem CID168956774
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name(1-cyclobutyl-5-fluoro-6-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine
SMILESCc1nc2c(cc1F)c(CN)cn2C1CCC1
InChIInChI=1S/C13H16FN3/c1-8-12(14)5-11-9(6-15)7-17(13(11)16-8)10-3-2-4-10/h5,7,10H,2-4,6,15H2,1H3
InChIKeyJOKURFSBXXKDIQ-UHFFFAOYSA-N
XLogP2.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-cyclobutyl-5-fluoro-6-[5-methyl-2-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanesulfinamide
CID 168956820
N-[[6-[2-cyano-4-(difluoromethyl)-3-pyridinyl]-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanesulfonamide
CID 168957013
ethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 46947192
ethyl 1-cyclopropyl-7-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 22167225
1-cyclobutyl-4-methylimidazol-2-amine
CID 103840674
tert-butyl-[[1-(6-chloro-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-3-yl)-2,2-difluoroethylidene]amino]-oxidosulfanium
CID 174059869
1-[(2,3-difluorophenyl)methyl]-5-fluoro-6-methylpyrazolo[3,4-b]pyridin-3-amine
CID 141449115
4-amino-1-cyclopentyl-5-fluoropyrimidin-2-one;ethane
CID 143702965
5-amino-3-(aminomethyl)-1-cyclopentylpyridin-2-one
CID 105460854
2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethanamine
CID 83878558
7-[2-(aminomethyl)-6-methyl-4-pyridinyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 15030325
(1,3,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine
CID 82504722

Frequently Asked Questions

What is the IUPAC name of (1-cyclobutyl-5-fluoro-6-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine?
The IUPAC name of (1-cyclobutyl-5-fluoro-6-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine (CID 168956774) is (1-cyclobutyl-5-fluoro-6-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine.
What is the SMILES notation for (1-cyclobutyl-5-fluoro-6-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine?
The canonical SMILES for (1-cyclobutyl-5-fluoro-6-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine is Cc1nc2c(cc1F)c(CN)cn2C1CCC1.
What is the InChIKey of (1-cyclobutyl-5-fluoro-6-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine?
The InChIKey is JOKURFSBXXKDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-8-12(14)5-11-9(6-15)7-17(13(11)16-8)10-3-2-4-10/h5,7,10H,2-4,6,15H2,1H3.
What are the key properties of (1-cyclobutyl-5-fluoro-6-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine?
(1-cyclobutyl-5-fluoro-6-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine has a molecular weight of 233.29 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutyl-5-fluoro-6-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine is sourced from PubChem (CID 168956774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).