3-(4-fluorophenyl)-N-(1H-indazol-5-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide

C27H23FN6O2 — CID 123967533

IUPAC3-(4-fluorophenyl)-N-(1H-indazol-5-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide
SMILESO=C(NCc1ccc2[nH]ncc2c1)c1ccc2nc(N3CCOCC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C27H23FN6O2/c28-21-5-2-18(3-6-21)25-26(34-9-11-36-12-10-34)32-23-8-4-19(14-24(23)31-25)27(35)29-15-17-1-7-22-20(13-17)16-30-33-22/h1-8,13-14,16H,9-12,15H2,(H,29,35)(H,30,33)
InChIKeyYOMJBUSNPGCQCW-UHFFFAOYSA-N
MW482.52 g/mol
LogP4.08
Rot. Bonds5

About 3-(4-fluorophenyl)-N-(1H-indazol-5-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide

3-(4-fluorophenyl)-N-(1H-indazol-5-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide (PubChem CID 123967533) has the molecular formula C27H23FN6O2 and a molecular weight of 482.52 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(1H-indazol-5-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(1H-indazol-5-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide
PubChem CID123967533
Molecular FormulaC27H23FN6O2
Molecular Weight482.52 g/mol
Exact Mass482.19
IUPAC Name3-(4-fluorophenyl)-N-(1H-indazol-5-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide
SMILESO=C(NCc1ccc2[nH]ncc2c1)c1ccc2nc(N3CCOCC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C27H23FN6O2/c28-21-5-2-18(3-6-21)25-26(34-9-11-36-12-10-34)32-23-8-4-19(14-24(23)31-25)27(35)29-15-17-1-7-22-20(13-17)16-30-33-22/h1-8,13-14,16H,9-12,15H2,(H,29,35)(H,30,33)
InChIKeyYOMJBUSNPGCQCW-UHFFFAOYSA-N
XLogP4.08
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(1H-indazol-5-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(1H-indazol-5-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide (CID 123967533) is 3-(4-fluorophenyl)-N-(1H-indazol-5-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(1H-indazol-5-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(1H-indazol-5-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide is O=C(NCc1ccc2[nH]ncc2c1)c1ccc2nc(N3CCOCC3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(1H-indazol-5-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide?
The InChIKey is YOMJBUSNPGCQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O2/c28-21-5-2-18(3-6-21)25-26(34-9-11-36-12-10-34)32-23-8-4-19(14-24(23)31-25)27(35)29-15-17-1-7-22-20(13-17)16-30-33-22/h1-8,13-14,16H,9-12,15H2,(H,29,35)(H,30,33).
What are the key properties of 3-(4-fluorophenyl)-N-(1H-indazol-5-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide?
3-(4-fluorophenyl)-N-(1H-indazol-5-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide has a molecular weight of 482.52 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(1H-indazol-5-ylmethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide is sourced from PubChem (CID 123967533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).