(3S)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-furo[2,3-b]pyridin-6-ylpropanoic acid

C24H29N5O4 — CID 70139211

IUPAC(3S)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-furo[2,3-b]pyridin-6-ylpropanoic acid
SMILESO=C(O)C[C@@H](c1ccc2ccoc2n1)N1CCN(CCCC2=CC=C3CCCNC3N2)C1=O
InChIInChI=1S/C24H29N5O4/c30-21(31)15-20(19-8-6-17-9-14-33-23(17)27-19)29-13-12-28(24(29)32)11-2-4-18-7-5-16-3-1-10-25-22(16)26-18/h5-9,14,20,22,25-26H,1-4,10-13,15H2,(H,30,31)/t20-,22?/m0/s1
InChIKeyFHZYJYXWSRSSLQ-AIBWNMTMSA-N
MW451.53 g/mol
LogP2.98
Rot. Bonds8

About (3S)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-furo[2,3-b]pyridin-6-ylpropanoic acid

(3S)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-furo[2,3-b]pyridin-6-ylpropanoic acid (PubChem CID 70139211) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is (3S)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-furo[2,3-b]pyridin-6-ylpropanoic acid.

Molecular Properties

Compound Name(3S)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-furo[2,3-b]pyridin-6-ylpropanoic acid
PubChem CID70139211
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name(3S)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-furo[2,3-b]pyridin-6-ylpropanoic acid
SMILESO=C(O)C[C@@H](c1ccc2ccoc2n1)N1CCN(CCCC2=CC=C3CCCNC3N2)C1=O
InChIInChI=1S/C24H29N5O4/c30-21(31)15-20(19-8-6-17-9-14-33-23(17)27-19)29-13-12-28(24(29)32)11-2-4-18-7-5-16-3-1-10-25-22(16)26-18/h5-9,14,20,22,25-26H,1-4,10-13,15H2,(H,30,31)/t20-,22?/m0/s1
InChIKeyFHZYJYXWSRSSLQ-AIBWNMTMSA-N
XLogP2.98
TPSA110.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3S)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-furo[2,3-b]pyridin-6-ylpropanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-furo[2,3-b]pyridin-6-ylpropanoic acid?
The IUPAC name of (3S)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-furo[2,3-b]pyridin-6-ylpropanoic acid (CID 70139211) is (3S)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-furo[2,3-b]pyridin-6-ylpropanoic acid.
What is the SMILES notation for (3S)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-furo[2,3-b]pyridin-6-ylpropanoic acid?
The canonical SMILES for (3S)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-furo[2,3-b]pyridin-6-ylpropanoic acid is O=C(O)C[C@@H](c1ccc2ccoc2n1)N1CCN(CCCC2=CC=C3CCCNC3N2)C1=O.
What is the InChIKey of (3S)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-furo[2,3-b]pyridin-6-ylpropanoic acid?
The InChIKey is FHZYJYXWSRSSLQ-AIBWNMTMSA-N. The full InChI is InChI=1S/C24H29N5O4/c30-21(31)15-20(19-8-6-17-9-14-33-23(17)27-19)29-13-12-28(24(29)32)11-2-4-18-7-5-16-3-1-10-25-22(16)26-18/h5-9,14,20,22,25-26H,1-4,10-13,15H2,(H,30,31)/t20-,22?/m0/s1.
What are the key properties of (3S)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-furo[2,3-b]pyridin-6-ylpropanoic acid?
(3S)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-furo[2,3-b]pyridin-6-ylpropanoic acid has a molecular weight of 451.53 g/mol, XLogP of 2.98, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-[3-(1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]-3-furo[2,3-b]pyridin-6-ylpropanoic acid is sourced from PubChem (CID 70139211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).