N-[1-[3-(3,5-difluorophenyl)quinoxalin-2-yl]ethyl]-1H-imidazo[4,5-c]pyridin-4-amine

C22H16F2N6 — CID 90347930

IUPACN-[1-[3-(3,5-difluorophenyl)quinoxalin-2-yl]ethyl]-1H-imidazo[4,5-c]pyridin-4-amine
SMILESCC(Nc1nccc2[nH]cnc12)c1nc2ccccc2nc1-c1cc(F)cc(F)c1
InChIInChI=1S/C22H16F2N6/c1-12(28-22-21-18(6-7-25-22)26-11-27-21)19-20(13-8-14(23)10-15(24)9-13)30-17-5-3-2-4-16(17)29-19/h2-12H,1H3,(H,25,28)(H,26,27)
InChIKeyUICBXWCMPYZGAD-UHFFFAOYSA-N
MW402.41 g/mol
LogP5.02
Rot. Bonds4

About N-[1-[3-(3,5-difluorophenyl)quinoxalin-2-yl]ethyl]-1H-imidazo[4,5-c]pyridin-4-amine

N-[1-[3-(3,5-difluorophenyl)quinoxalin-2-yl]ethyl]-1H-imidazo[4,5-c]pyridin-4-amine (PubChem CID 90347930) has the molecular formula C22H16F2N6 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-[1-[3-(3,5-difluorophenyl)quinoxalin-2-yl]ethyl]-1H-imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[1-[3-(3,5-difluorophenyl)quinoxalin-2-yl]ethyl]-1H-imidazo[4,5-c]pyridin-4-amine
PubChem CID90347930
Molecular FormulaC22H16F2N6
Molecular Weight402.41 g/mol
Exact Mass402.14
IUPAC NameN-[1-[3-(3,5-difluorophenyl)quinoxalin-2-yl]ethyl]-1H-imidazo[4,5-c]pyridin-4-amine
SMILESCC(Nc1nccc2[nH]cnc12)c1nc2ccccc2nc1-c1cc(F)cc(F)c1
InChIInChI=1S/C22H16F2N6/c1-12(28-22-21-18(6-7-25-22)26-11-27-21)19-20(13-8-14(23)10-15(24)9-13)30-17-5-3-2-4-16(17)29-19/h2-12H,1H3,(H,25,28)(H,26,27)
InChIKeyUICBXWCMPYZGAD-UHFFFAOYSA-N
XLogP5.02
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.41
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3,5-difluorophenyl)quinoxalin-2-yl]ethyl]-1H-imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of N-[1-[3-(3,5-difluorophenyl)quinoxalin-2-yl]ethyl]-1H-imidazo[4,5-c]pyridin-4-amine (CID 90347930) is N-[1-[3-(3,5-difluorophenyl)quinoxalin-2-yl]ethyl]-1H-imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for N-[1-[3-(3,5-difluorophenyl)quinoxalin-2-yl]ethyl]-1H-imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for N-[1-[3-(3,5-difluorophenyl)quinoxalin-2-yl]ethyl]-1H-imidazo[4,5-c]pyridin-4-amine is CC(Nc1nccc2[nH]cnc12)c1nc2ccccc2nc1-c1cc(F)cc(F)c1.
What is the InChIKey of N-[1-[3-(3,5-difluorophenyl)quinoxalin-2-yl]ethyl]-1H-imidazo[4,5-c]pyridin-4-amine?
The InChIKey is UICBXWCMPYZGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N6/c1-12(28-22-21-18(6-7-25-22)26-11-27-21)19-20(13-8-14(23)10-15(24)9-13)30-17-5-3-2-4-16(17)29-19/h2-12H,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[1-[3-(3,5-difluorophenyl)quinoxalin-2-yl]ethyl]-1H-imidazo[4,5-c]pyridin-4-amine?
N-[1-[3-(3,5-difluorophenyl)quinoxalin-2-yl]ethyl]-1H-imidazo[4,5-c]pyridin-4-amine has a molecular weight of 402.41 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3,5-difluorophenyl)quinoxalin-2-yl]ethyl]-1H-imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 90347930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).