3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide

C28H19F2N7O2 — CID 118463808

IUPAC3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide
SMILESCOc1cc(-c2nc3cc(C(=O)NCc4nc5ccncc5[nH]4)ccc3nc2-c2ccc(F)cc2)c(F)cn1
InChIInChI=1S/C28H19F2N7O2/c1-39-25-11-18(19(30)12-32-25)27-26(15-2-5-17(29)6-3-15)36-20-7-4-16(10-22(20)37-27)28(38)33-14-24-34-21-8-9-31-13-23(21)35-24/h2-13H,14H2,1H3,(H,33,38)(H,34,35)
InChIKeyXDIDUQWVBMUSGK-UHFFFAOYSA-N
MW523.50 g/mol
LogP4.85
Rot. Bonds6

About 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide

3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide (PubChem CID 118463808) has the molecular formula C28H19F2N7O2 and a molecular weight of 523.50 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide
PubChem CID118463808
Molecular FormulaC28H19F2N7O2
Molecular Weight523.50 g/mol
Exact Mass523.16
IUPAC Name3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide
SMILESCOc1cc(-c2nc3cc(C(=O)NCc4nc5ccncc5[nH]4)ccc3nc2-c2ccc(F)cc2)c(F)cn1
InChIInChI=1S/C28H19F2N7O2/c1-39-25-11-18(19(30)12-32-25)27-26(15-2-5-17(29)6-3-15)36-20-7-4-16(10-22(20)37-27)28(38)33-14-24-34-21-8-9-31-13-23(21)35-24/h2-13H,14H2,1H3,(H,33,38)(H,34,35)
InChIKeyXDIDUQWVBMUSGK-UHFFFAOYSA-N
XLogP4.85
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.50
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide?
The IUPAC name of 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide (CID 118463808) is 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide.
What is the SMILES notation for 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide?
The canonical SMILES for 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide is COc1cc(-c2nc3cc(C(=O)NCc4nc5ccncc5[nH]4)ccc3nc2-c2ccc(F)cc2)c(F)cn1.
What is the InChIKey of 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide?
The InChIKey is XDIDUQWVBMUSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F2N7O2/c1-39-25-11-18(19(30)12-32-25)27-26(15-2-5-17(29)6-3-15)36-20-7-4-16(10-22(20)37-27)28(38)33-14-24-34-21-8-9-31-13-23(21)35-24/h2-13H,14H2,1H3,(H,33,38)(H,34,35).
What are the key properties of 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide?
3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide has a molecular weight of 523.50 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 118463808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).