N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindazol-5-yl)-1,3-oxazole-4-carboxamide

C27H23FN6O3 — CID 156906586

IUPACN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindazol-5-yl)-1,3-oxazole-4-carboxamide
SMILESCn1ncc2cc(N(C(=O)c3cocn3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)ccc21
InChIInChI=1S/C27H23FN6O3/c1-33-24-8-7-22(13-20(24)15-32-33)34(27(36)23-16-37-17-31-23)25(19-5-3-10-29-14-19)26(35)30-11-9-18-4-2-6-21(28)12-18/h2-8,10,12-17,25H,9,11H2,1H3,(H,30,35)
InChIKeyZWIRFTZOXMUTSY-UHFFFAOYSA-N
MW498.52 g/mol
LogP3.84
Rot. Bonds8

About N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindazol-5-yl)-1,3-oxazole-4-carboxamide

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindazol-5-yl)-1,3-oxazole-4-carboxamide (PubChem CID 156906586) has the molecular formula C27H23FN6O3 and a molecular weight of 498.52 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindazol-5-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindazol-5-yl)-1,3-oxazole-4-carboxamide
PubChem CID156906586
Molecular FormulaC27H23FN6O3
Molecular Weight498.52 g/mol
Exact Mass498.18
IUPAC NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindazol-5-yl)-1,3-oxazole-4-carboxamide
SMILESCn1ncc2cc(N(C(=O)c3cocn3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)ccc21
InChIInChI=1S/C27H23FN6O3/c1-33-24-8-7-22(13-20(24)15-32-33)34(27(36)23-16-37-17-31-23)25(19-5-3-10-29-14-19)26(35)30-11-9-18-4-2-6-21(28)12-18/h2-8,10,12-17,25H,9,11H2,1H3,(H,30,35)
InChIKeyZWIRFTZOXMUTSY-UHFFFAOYSA-N
XLogP3.84
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.52
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindazol-5-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindazol-5-yl)-1,3-oxazole-4-carboxamide (CID 156906586) is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindazol-5-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindazol-5-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindazol-5-yl)-1,3-oxazole-4-carboxamide is Cn1ncc2cc(N(C(=O)c3cocn3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)ccc21.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindazol-5-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is ZWIRFTZOXMUTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O3/c1-33-24-8-7-22(13-20(24)15-32-33)34(27(36)23-16-37-17-31-23)25(19-5-3-10-29-14-19)26(35)30-11-9-18-4-2-6-21(28)12-18/h2-8,10,12-17,25H,9,11H2,1H3,(H,30,35).
What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindazol-5-yl)-1,3-oxazole-4-carboxamide?
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindazol-5-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 498.52 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylindazol-5-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).