N-(3-fluorophenyl)-5-[[1-(2-methoxyethyl)indol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine

C24H25FN4O2 — CID 92611385

IUPACN-(3-fluorophenyl)-5-[[1-(2-methoxyethyl)indol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESCOCCn1cc(CN2CCc3onc(Nc4cccc(F)c4)c3C2)c2ccccc21
InChIInChI=1S/C24H25FN4O2/c1-30-12-11-29-15-17(20-7-2-3-8-22(20)29)14-28-10-9-23-21(16-28)24(27-31-23)26-19-6-4-5-18(25)13-19/h2-8,13,15H,9-12,14,16H2,1H3,(H,26,27)
InChIKeyFTIXTBGRYKZCLJ-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.72
Rot. Bonds7

About N-(3-fluorophenyl)-5-[[1-(2-methoxyethyl)indol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine

N-(3-fluorophenyl)-5-[[1-(2-methoxyethyl)indol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine (PubChem CID 92611385) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-[[1-(2-methoxyethyl)indol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-[[1-(2-methoxyethyl)indol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
PubChem CID92611385
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC NameN-(3-fluorophenyl)-5-[[1-(2-methoxyethyl)indol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESCOCCn1cc(CN2CCc3onc(Nc4cccc(F)c4)c3C2)c2ccccc21
InChIInChI=1S/C24H25FN4O2/c1-30-12-11-29-15-17(20-7-2-3-8-22(20)29)14-28-10-9-23-21(16-28)24(27-31-23)26-19-6-4-5-18(25)13-19/h2-8,13,15H,9-12,14,16H2,1H3,(H,26,27)
InChIKeyFTIXTBGRYKZCLJ-UHFFFAOYSA-N
XLogP4.72
TPSA55.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-[[1-(2-methoxyethyl)indol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The IUPAC name of N-(3-fluorophenyl)-5-[[1-(2-methoxyethyl)indol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine (CID 92611385) is N-(3-fluorophenyl)-5-[[1-(2-methoxyethyl)indol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine.
What is the SMILES notation for N-(3-fluorophenyl)-5-[[1-(2-methoxyethyl)indol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The canonical SMILES for N-(3-fluorophenyl)-5-[[1-(2-methoxyethyl)indol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine is COCCn1cc(CN2CCc3onc(Nc4cccc(F)c4)c3C2)c2ccccc21.
What is the InChIKey of N-(3-fluorophenyl)-5-[[1-(2-methoxyethyl)indol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The InChIKey is FTIXTBGRYKZCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-30-12-11-29-15-17(20-7-2-3-8-22(20)29)14-28-10-9-23-21(16-28)24(27-31-23)26-19-6-4-5-18(25)13-19/h2-8,13,15H,9-12,14,16H2,1H3,(H,26,27).
What are the key properties of N-(3-fluorophenyl)-5-[[1-(2-methoxyethyl)indol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
N-(3-fluorophenyl)-5-[[1-(2-methoxyethyl)indol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine has a molecular weight of 420.49 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-[[1-(2-methoxyethyl)indol-3-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine is sourced from PubChem (CID 92611385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).