5-[2-(1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)ethenyl]-4,6-difluorocyclohexa-1,5-dien-1-amine

C15H15F2N3 — CID 138718952

IUPAC5-[2-(1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)ethenyl]-4,6-difluorocyclohexa-1,5-dien-1-amine
SMILESNC1=CCC(F)C(C=CC2=CNC3C=CC=CN23)=C1F
InChIInChI=1S/C15H15F2N3/c16-12-6-7-13(18)15(17)11(12)5-4-10-9-19-14-3-1-2-8-20(10)14/h1-5,7-9,12,14,19H,6,18H2
InChIKeyDJKLMHKEJVQWRK-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.51
Rot. Bonds2

About 5-[2-(1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)ethenyl]-4,6-difluorocyclohexa-1,5-dien-1-amine

5-[2-(1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)ethenyl]-4,6-difluorocyclohexa-1,5-dien-1-amine (PubChem CID 138718952) has the molecular formula C15H15F2N3 and a molecular weight of 275.30 g/mol. Its IUPAC name is 5-[2-(1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)ethenyl]-4,6-difluorocyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5-[2-(1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)ethenyl]-4,6-difluorocyclohexa-1,5-dien-1-amine
PubChem CID138718952
Molecular FormulaC15H15F2N3
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name5-[2-(1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)ethenyl]-4,6-difluorocyclohexa-1,5-dien-1-amine
SMILESNC1=CCC(F)C(C=CC2=CNC3C=CC=CN23)=C1F
InChIInChI=1S/C15H15F2N3/c16-12-6-7-13(18)15(17)11(12)5-4-10-9-19-14-3-1-2-8-20(10)14/h1-5,7-9,12,14,19H,6,18H2
InChIKeyDJKLMHKEJVQWRK-UHFFFAOYSA-N
XLogP2.51
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Fluoro-2,7-dimethyl-1,7a-dihydropyrrolo[2,3-b]pyridine
CID 155197931
5,5,6-trifluoro-2-methyl-3-N-[(Z)-3-(methylamino)prop-1-enyl]-3H-cyclopenta[c]pyridine-3,7-diamine
CID 156450814
4-fluoro-5,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 156715331
(1Z,3Z)-5-(3-methyl-1,2,6,7-tetrahydrobenzimidazol-2-yl)hexa-1,3,5-trien-1-amine
CID 89053476
3-(12-Methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-1,3,5,10,12-pentaen-4-yl)propan-1-amine
CID 91172355
2,6-Dimethyl-1,8a-dihydroimidazo[1,2-a]pyridine
CID 117997912
5-Ethyl-1,6-dimethyl-7,7a-dihydropyrrolo[2,3-b]pyridine
CID 130220546
2-methyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 164157744
2-Methyl-6-propan-2-yl-1,8a-dihydroimidazo[1,2-a]pyridine
CID 168140409

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)ethenyl]-4,6-difluorocyclohexa-1,5-dien-1-amine?
The IUPAC name of 5-[2-(1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)ethenyl]-4,6-difluorocyclohexa-1,5-dien-1-amine (CID 138718952) is 5-[2-(1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)ethenyl]-4,6-difluorocyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5-[2-(1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)ethenyl]-4,6-difluorocyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5-[2-(1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)ethenyl]-4,6-difluorocyclohexa-1,5-dien-1-amine is NC1=CCC(F)C(C=CC2=CNC3C=CC=CN23)=C1F.
What is the InChIKey of 5-[2-(1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)ethenyl]-4,6-difluorocyclohexa-1,5-dien-1-amine?
The InChIKey is DJKLMHKEJVQWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3/c16-12-6-7-13(18)15(17)11(12)5-4-10-9-19-14-3-1-2-8-20(10)14/h1-5,7-9,12,14,19H,6,18H2.
What are the key properties of 5-[2-(1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)ethenyl]-4,6-difluorocyclohexa-1,5-dien-1-amine?
5-[2-(1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)ethenyl]-4,6-difluorocyclohexa-1,5-dien-1-amine has a molecular weight of 275.30 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)ethenyl]-4,6-difluorocyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 138718952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).