3-(6-methoxy-3-pyridinyl)-4-[2-[3-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)propyl]-1,3-thiazol-4-yl]butanoic acid

C24H29N5O3S — CID 10073290

IUPAC3-(6-methoxy-3-pyridinyl)-4-[2-[3-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)propyl]-1,3-thiazol-4-yl]butanoic acid
SMILESCOc1ccc(C(CC(=O)O)Cc2csc(CCCc3ccc4c(n3)NCCN4C)n2)cn1
InChIInChI=1S/C24H29N5O3S/c1-29-11-10-25-24-20(29)8-7-18(28-24)4-3-5-22-27-19(15-33-22)12-17(13-23(30)31)16-6-9-21(32-2)26-14-16/h6-9,14-15,17H,3-5,10-13H2,1-2H3,(H,25,28)(H,30,31)
InChIKeyZSYFEFOBOJYQCG-UHFFFAOYSA-N
MW467.60 g/mol
LogP3.78
Rot. Bonds10

About 3-(6-methoxy-3-pyridinyl)-4-[2-[3-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)propyl]-1,3-thiazol-4-yl]butanoic acid

3-(6-methoxy-3-pyridinyl)-4-[2-[3-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)propyl]-1,3-thiazol-4-yl]butanoic acid (PubChem CID 10073290) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-4-[2-[3-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)propyl]-1,3-thiazol-4-yl]butanoic acid.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-4-[2-[3-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)propyl]-1,3-thiazol-4-yl]butanoic acid
PubChem CID10073290
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC Name3-(6-methoxy-3-pyridinyl)-4-[2-[3-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)propyl]-1,3-thiazol-4-yl]butanoic acid
SMILESCOc1ccc(C(CC(=O)O)Cc2csc(CCCc3ccc4c(n3)NCCN4C)n2)cn1
InChIInChI=1S/C24H29N5O3S/c1-29-11-10-25-24-20(29)8-7-18(28-24)4-3-5-22-27-19(15-33-22)12-17(13-23(30)31)16-6-9-21(32-2)26-14-16/h6-9,14-15,17H,3-5,10-13H2,1-2H3,(H,25,28)(H,30,31)
InChIKeyZSYFEFOBOJYQCG-UHFFFAOYSA-N
XLogP3.78
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(6-methoxy-3-pyridinyl)-4-[2-[3-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)propyl]-1,3-thiazol-4-yl]butanoic acid with MolForge

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Related Compounds

3-(Benzo[d][1,3]dioxol-5-yl)-4-(2-(3-(1-methyl-1,2,3,4-tetrahydropyrido[3,2-b]pyrazin-6-yl)propyl)thiazol-4-yl)butanoic acid
CID 21934501
(3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid
CID 70687988
3-(3,5-Dimethoxyphenyl)-4-(2-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)thiazol-4-yl)butanoic acid
CID 10073952
3-(6-Methoxypyridin-3-yl)-4-(2-(4-(4-(pyrrolidin-1-yl)pyridin-2-ylamino)butyl)thiazol-4-yl)butanoic acid
CID 10391088
3-(6-Methoxypyridin-3-yl)-4-(2-(4-(4-thiomorpholinopyridin-2-ylamino)butyl)thiazol-4-yl)butanoic acid
CID 10414569
3-(6-Methoxypyridin-3-yl)-4-(2-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)thiazol-4-yl)butanoic acid
CID 10479033
3-(3-Fluoro-4-methoxyphenyl)-4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid
CID 10479802
3-(6-Methoxypyridin-3-yl)-4-(2-(4-(4-morpholinopyridin-2-ylamino)butyl)thiazol-4-yl)butanoic acid
CID 11756112
US12187727, Example 182
CID 166585376
US12187727, Example 171
CID 166585390
US12187727, Example 167
CID 166585411
US12187727, Example 163
CID 166585422

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-4-[2-[3-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)propyl]-1,3-thiazol-4-yl]butanoic acid?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-4-[2-[3-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)propyl]-1,3-thiazol-4-yl]butanoic acid (CID 10073290) is 3-(6-methoxy-3-pyridinyl)-4-[2-[3-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)propyl]-1,3-thiazol-4-yl]butanoic acid.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-4-[2-[3-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)propyl]-1,3-thiazol-4-yl]butanoic acid?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-4-[2-[3-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)propyl]-1,3-thiazol-4-yl]butanoic acid is COc1ccc(C(CC(=O)O)Cc2csc(CCCc3ccc4c(n3)NCCN4C)n2)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-4-[2-[3-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)propyl]-1,3-thiazol-4-yl]butanoic acid?
The InChIKey is ZSYFEFOBOJYQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-29-11-10-25-24-20(29)8-7-18(28-24)4-3-5-22-27-19(15-33-22)12-17(13-23(30)31)16-6-9-21(32-2)26-14-16/h6-9,14-15,17H,3-5,10-13H2,1-2H3,(H,25,28)(H,30,31).
What are the key properties of 3-(6-methoxy-3-pyridinyl)-4-[2-[3-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)propyl]-1,3-thiazol-4-yl]butanoic acid?
3-(6-methoxy-3-pyridinyl)-4-[2-[3-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)propyl]-1,3-thiazol-4-yl]butanoic acid has a molecular weight of 467.60 g/mol, XLogP of 3.78, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-4-[2-[3-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)propyl]-1,3-thiazol-4-yl]butanoic acid is sourced from PubChem (CID 10073290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).