N-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-6-(hydroxymethyl)-4-methoxynaphthalene-2-carboxamide

C30H27F4N3O5 — CID 122503119

IUPACN-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-6-(hydroxymethyl)-4-methoxynaphthalene-2-carboxamide
SMILESCOc1cc(C(=O)NC[C@@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(C)N)C(F)(F)F)cc2ccc(CO)cc12
InChIInChI=1S/C30H27F4N3O5/c1-28(35)15-42-26-22(28)12-24(37-25(26)17-5-7-20(31)8-6-17)29(40,30(32,33)34)14-36-27(39)19-10-18-4-3-16(13-38)9-21(18)23(11-19)41-2/h3-12,38,40H,13-15,35H2,1-2H3,(H,36,39)/t28-,29-/m1/s1
InChIKeyMOGXPZISKFVMSC-FQLXRVMXSA-N
MW585.55 g/mol
LogP4.29
Rot. Bonds7

About N-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-6-(hydroxymethyl)-4-methoxynaphthalene-2-carboxamide

N-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-6-(hydroxymethyl)-4-methoxynaphthalene-2-carboxamide (PubChem CID 122503119) has the molecular formula C30H27F4N3O5 and a molecular weight of 585.55 g/mol. Its IUPAC name is N-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-6-(hydroxymethyl)-4-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-6-(hydroxymethyl)-4-methoxynaphthalene-2-carboxamide
PubChem CID122503119
Molecular FormulaC30H27F4N3O5
Molecular Weight585.55 g/mol
Exact Mass585.19
IUPAC NameN-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-6-(hydroxymethyl)-4-methoxynaphthalene-2-carboxamide
SMILESCOc1cc(C(=O)NC[C@@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(C)N)C(F)(F)F)cc2ccc(CO)cc12
InChIInChI=1S/C30H27F4N3O5/c1-28(35)15-42-26-22(28)12-24(37-25(26)17-5-7-20(31)8-6-17)29(40,30(32,33)34)14-36-27(39)19-10-18-4-3-16(13-38)9-21(18)23(11-19)41-2/h3-12,38,40H,13-15,35H2,1-2H3,(H,36,39)/t28-,29-/m1/s1
InChIKeyMOGXPZISKFVMSC-FQLXRVMXSA-N
XLogP4.29
TPSA126.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.55
LogP ≤ 54.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-6-(hydroxymethyl)-4-methoxynaphthalene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-6-(hydroxymethyl)-4-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-6-(hydroxymethyl)-4-methoxynaphthalene-2-carboxamide (CID 122503119) is N-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-6-(hydroxymethyl)-4-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-6-(hydroxymethyl)-4-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-6-(hydroxymethyl)-4-methoxynaphthalene-2-carboxamide is COc1cc(C(=O)NC[C@@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(C)N)C(F)(F)F)cc2ccc(CO)cc12.
What is the InChIKey of N-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-6-(hydroxymethyl)-4-methoxynaphthalene-2-carboxamide?
The InChIKey is MOGXPZISKFVMSC-FQLXRVMXSA-N. The full InChI is InChI=1S/C30H27F4N3O5/c1-28(35)15-42-26-22(28)12-24(37-25(26)17-5-7-20(31)8-6-17)29(40,30(32,33)34)14-36-27(39)19-10-18-4-3-16(13-38)9-21(18)23(11-19)41-2/h3-12,38,40H,13-15,35H2,1-2H3,(H,36,39)/t28-,29-/m1/s1.
What are the key properties of N-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-6-(hydroxymethyl)-4-methoxynaphthalene-2-carboxamide?
N-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-6-(hydroxymethyl)-4-methoxynaphthalene-2-carboxamide has a molecular weight of 585.55 g/mol, XLogP of 4.29, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-6-(hydroxymethyl)-4-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 122503119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).