4-[3-amino-7-(7-fluoro-1H-indol-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one

C30H32FN3O6 — CID 148906317

IUPAC4-[3-amino-7-(7-fluoro-1H-indol-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
SMILESCOc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4c[nH]c5c(F)cccc45)n2)OCC3(C)N)ccc1OCCO
InChIInChI=1S/C30H32FN3O6/c1-29(32)16-40-28-20(29)14-25(34-27(28)19-15-33-26-18(19)5-4-6-21(26)31)30(2,37)10-9-22(36)17-7-8-23(39-12-11-35)24(13-17)38-3/h4-8,13-15,33,35,37H,9-12,16,32H2,1-3H3
InChIKeyPHTGUXURIFJEJA-UHFFFAOYSA-N
MW549.60 g/mol
LogP4.19
Rot. Bonds10

About 4-[3-amino-7-(7-fluoro-1H-indol-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one

4-[3-amino-7-(7-fluoro-1H-indol-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one (PubChem CID 148906317) has the molecular formula C30H32FN3O6 and a molecular weight of 549.60 g/mol. Its IUPAC name is 4-[3-amino-7-(7-fluoro-1H-indol-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one.

Molecular Properties

Compound Name4-[3-amino-7-(7-fluoro-1H-indol-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
PubChem CID148906317
Molecular FormulaC30H32FN3O6
Molecular Weight549.60 g/mol
Exact Mass549.23
IUPAC Name4-[3-amino-7-(7-fluoro-1H-indol-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
SMILESCOc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4c[nH]c5c(F)cccc45)n2)OCC3(C)N)ccc1OCCO
InChIInChI=1S/C30H32FN3O6/c1-29(32)16-40-28-20(29)14-25(34-27(28)19-15-33-26-18(19)5-4-6-21(26)31)30(2,37)10-9-22(36)17-7-8-23(39-12-11-35)24(13-17)38-3/h4-8,13-15,33,35,37H,9-12,16,32H2,1-3H3
InChIKeyPHTGUXURIFJEJA-UHFFFAOYSA-N
XLogP4.19
TPSA139.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.60
LogP ≤ 54.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-[3-amino-7-(7-fluoro-1H-indol-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one with MolForge

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Related Compounds

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5-fluoro-3-(1-(2-(7-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
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Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-7-(7-fluoro-1H-indol-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
The IUPAC name of 4-[3-amino-7-(7-fluoro-1H-indol-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one (CID 148906317) is 4-[3-amino-7-(7-fluoro-1H-indol-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one.
What is the SMILES notation for 4-[3-amino-7-(7-fluoro-1H-indol-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
The canonical SMILES for 4-[3-amino-7-(7-fluoro-1H-indol-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one is COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4c[nH]c5c(F)cccc45)n2)OCC3(C)N)ccc1OCCO.
What is the InChIKey of 4-[3-amino-7-(7-fluoro-1H-indol-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
The InChIKey is PHTGUXURIFJEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN3O6/c1-29(32)16-40-28-20(29)14-25(34-27(28)19-15-33-26-18(19)5-4-6-21(26)31)30(2,37)10-9-22(36)17-7-8-23(39-12-11-35)24(13-17)38-3/h4-8,13-15,33,35,37H,9-12,16,32H2,1-3H3.
What are the key properties of 4-[3-amino-7-(7-fluoro-1H-indol-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
4-[3-amino-7-(7-fluoro-1H-indol-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one has a molecular weight of 549.60 g/mol, XLogP of 4.19, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-7-(7-fluoro-1H-indol-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one is sourced from PubChem (CID 148906317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).