3-(5-fluoro-2-methoxy-4-pyridinyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide

C26H23FN6O3 — CID 118463589

IUPAC3-(5-fluoro-2-methoxy-4-pyridinyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide
SMILESCOc1cc(-c2nc3cc(C(=O)NCc4ccc5nccn5c4)ccc3nc2OC(C)C)c(F)cn1
InChIInChI=1S/C26H23FN6O3/c1-15(2)36-26-24(18-11-23(35-3)29-13-19(18)27)31-21-10-17(5-6-20(21)32-26)25(34)30-12-16-4-7-22-28-8-9-33(22)14-16/h4-11,13-15H,12H2,1-3H3,(H,30,34)
InChIKeyADVFRLUCIXEZGV-UHFFFAOYSA-N
MW486.51 g/mol
LogP4.20
Rot. Bonds7

About 3-(5-fluoro-2-methoxy-4-pyridinyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide

3-(5-fluoro-2-methoxy-4-pyridinyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide (PubChem CID 118463589) has the molecular formula C26H23FN6O3 and a molecular weight of 486.51 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxy-4-pyridinyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxy-4-pyridinyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide
PubChem CID118463589
Molecular FormulaC26H23FN6O3
Molecular Weight486.51 g/mol
Exact Mass486.18
IUPAC Name3-(5-fluoro-2-methoxy-4-pyridinyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide
SMILESCOc1cc(-c2nc3cc(C(=O)NCc4ccc5nccn5c4)ccc3nc2OC(C)C)c(F)cn1
InChIInChI=1S/C26H23FN6O3/c1-15(2)36-26-24(18-11-23(35-3)29-13-19(18)27)31-21-10-17(5-6-20(21)32-26)25(34)30-12-16-4-7-22-28-8-9-33(22)14-16/h4-11,13-15H,12H2,1-3H3,(H,30,34)
InChIKeyADVFRLUCIXEZGV-UHFFFAOYSA-N
XLogP4.20
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxy-4-pyridinyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide?
The IUPAC name of 3-(5-fluoro-2-methoxy-4-pyridinyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide (CID 118463589) is 3-(5-fluoro-2-methoxy-4-pyridinyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide.
What is the SMILES notation for 3-(5-fluoro-2-methoxy-4-pyridinyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide?
The canonical SMILES for 3-(5-fluoro-2-methoxy-4-pyridinyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide is COc1cc(-c2nc3cc(C(=O)NCc4ccc5nccn5c4)ccc3nc2OC(C)C)c(F)cn1.
What is the InChIKey of 3-(5-fluoro-2-methoxy-4-pyridinyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide?
The InChIKey is ADVFRLUCIXEZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O3/c1-15(2)36-26-24(18-11-23(35-3)29-13-19(18)27)31-21-10-17(5-6-20(21)32-26)25(34)30-12-16-4-7-22-28-8-9-33(22)14-16/h4-11,13-15H,12H2,1-3H3,(H,30,34).
What are the key properties of 3-(5-fluoro-2-methoxy-4-pyridinyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide?
3-(5-fluoro-2-methoxy-4-pyridinyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide has a molecular weight of 486.51 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methoxy-4-pyridinyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide is sourced from PubChem (CID 118463589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).