(3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[3-[(7R)-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid

C24H31N5O4 — CID 10411605

IUPAC(3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[3-[(7R)-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid
SMILESCOc1ccc([C@H](CC(=O)O)N2CCN(CCCc3ccc4c(n3)N[C@H](C)CC4)C2=O)cn1
InChIInChI=1S/C24H31N5O4/c1-16-5-6-17-7-9-19(27-23(17)26-16)4-3-11-28-12-13-29(24(28)32)20(14-22(30)31)18-8-10-21(33-2)25-15-18/h7-10,15-16,20H,3-6,11-14H2,1-2H3,(H,26,27)(H,30,31)/t16-,20+/m1/s1
InChIKeyNRFURXLSMVPTER-UZLBHIALSA-N
MW453.54 g/mol
LogP3.12
Rot. Bonds9

About (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[3-[(7R)-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid

(3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[3-[(7R)-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid (PubChem CID 10411605) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[3-[(7R)-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name(3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[3-[(7R)-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid
PubChem CID10411605
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Name(3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[3-[(7R)-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid
SMILESCOc1ccc([C@H](CC(=O)O)N2CCN(CCCc3ccc4c(n3)N[C@H](C)CC4)C2=O)cn1
InChIInChI=1S/C24H31N5O4/c1-16-5-6-17-7-9-19(27-23(17)26-16)4-3-11-28-12-13-29(24(28)32)20(14-22(30)31)18-8-10-21(33-2)25-15-18/h7-10,15-16,20H,3-6,11-14H2,1-2H3,(H,26,27)(H,30,31)/t16-,20+/m1/s1
InChIKeyNRFURXLSMVPTER-UZLBHIALSA-N
XLogP3.12
TPSA107.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[3-[(7R)-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid with MolForge

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Related Compounds

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Nesvategrast
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CID 10072507
(S)-3-{3-[3-(7-Hydroxy-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-propyl]-2-oxo-imidazolidin-1-yl}-3-(6-methoxy-pyridin-3-yl)-propionic acid
CID 10161387
3-(2-{2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-ethyl]-pyrrolidin-1-yl}-acetylamino)-3-pyridin-3-yl-propionic acid
CID 10456473
3-(6-Methoxypyridin-3-yl)-4-(3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)-1,2,4-oxadiazol-5-yl)butanoic acid
CID 10457584
(S)-3-{2-Oxo-3-[3-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-propyl]-imidazolidin-1-yl}-3-pyridin-3-yl-propionic acid
CID 11122429
(S)-3-(3-Fluoro-4-methoxy-phenyl)-3-{2-oxo-3-[3-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-propyl]-imidazolidin-1-yl}-propionic acid
CID 11134241
(S)-3-(6-Methoxy-pyridin-3-yl)-7-oxo-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid
CID 11200734
(S)-3-(6-Methoxy-pyridin-3-yl)-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid
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(S)-3-(2-{(R)-2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-ethyl]-pyrrolidin-1-yl}-acetylamino)-3-pyridin-3-yl-propionic acid
CID 11744536
(3R)-3-(6-methoxy-3-pyridinyl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid
CID 42607047

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[3-[(7R)-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid?
The IUPAC name of (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[3-[(7R)-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid (CID 10411605) is (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[3-[(7R)-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid.
What is the SMILES notation for (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[3-[(7R)-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid?
The canonical SMILES for (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[3-[(7R)-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid is COc1ccc([C@H](CC(=O)O)N2CCN(CCCc3ccc4c(n3)N[C@H](C)CC4)C2=O)cn1.
What is the InChIKey of (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[3-[(7R)-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid?
The InChIKey is NRFURXLSMVPTER-UZLBHIALSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-16-5-6-17-7-9-19(27-23(17)26-16)4-3-11-28-12-13-29(24(28)32)20(14-22(30)31)18-8-10-21(33-2)25-15-18/h7-10,15-16,20H,3-6,11-14H2,1-2H3,(H,26,27)(H,30,31)/t16-,20+/m1/s1.
What are the key properties of (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[3-[(7R)-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid?
(3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[3-[(7R)-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid has a molecular weight of 453.54 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[3-[(7R)-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid is sourced from PubChem (CID 10411605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).