N-[(3,4-difluorophenyl)methyl]-2-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide

C28H26F2N4O3 — CID 59762390

IUPACN-[(3,4-difluorophenyl)methyl]-2-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide
SMILESCC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C3=NCCO3)n(Cc3ccccn3)c2c1
InChIInChI=1S/C28H26F2N4O3/c1-17(2)37-20-7-8-21-24(14-20)34(16-19-5-3-4-10-31-19)26(28-32-11-12-36-28)25(21)27(35)33-15-18-6-9-22(29)23(30)13-18/h3-10,13-14,17H,11-12,15-16H2,1-2H3,(H,33,35)
InChIKeyMGJAWFRPRHHYON-UHFFFAOYSA-N
MW504.54 g/mol
LogP4.86
Rot. Bonds8

About N-[(3,4-difluorophenyl)methyl]-2-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide

N-[(3,4-difluorophenyl)methyl]-2-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide (PubChem CID 59762390) has the molecular formula C28H26F2N4O3 and a molecular weight of 504.54 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-2-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide
PubChem CID59762390
Molecular FormulaC28H26F2N4O3
Molecular Weight504.54 g/mol
Exact Mass504.20
IUPAC NameN-[(3,4-difluorophenyl)methyl]-2-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide
SMILESCC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C3=NCCO3)n(Cc3ccccn3)c2c1
InChIInChI=1S/C28H26F2N4O3/c1-17(2)37-20-7-8-21-24(14-20)34(16-19-5-3-4-10-31-19)26(28-32-11-12-36-28)25(21)27(35)33-15-18-6-9-22(29)23(30)13-18/h3-10,13-14,17H,11-12,15-16H2,1-2H3,(H,33,35)
InChIKeyMGJAWFRPRHHYON-UHFFFAOYSA-N
XLogP4.86
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.54
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3,4-difluorophenyl)methyl]-2-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide (CID 59762390) is N-[(3,4-difluorophenyl)methyl]-2-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide is CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C3=NCCO3)n(Cc3ccccn3)c2c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide?
The InChIKey is MGJAWFRPRHHYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N4O3/c1-17(2)37-20-7-8-21-24(14-20)34(16-19-5-3-4-10-31-19)26(28-32-11-12-36-28)25(21)27(35)33-15-18-6-9-22(29)23(30)13-18/h3-10,13-14,17H,11-12,15-16H2,1-2H3,(H,33,35).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-2-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide?
N-[(3,4-difluorophenyl)methyl]-2-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide has a molecular weight of 504.54 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-2-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide is sourced from PubChem (CID 59762390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).