3-(6-methoxy-3-pyridinyl)-4-[1-methyl-5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]pyrazol-3-yl]butanoic acid

C24H30N6O4 — CID 10096078

IUPAC3-(6-methoxy-3-pyridinyl)-4-[1-methyl-5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]pyrazol-3-yl]butanoic acid
SMILESCOc1ccc(C(CC(=O)O)Cc2cc(OCCc3ccc4c(n3)NCCN4C)n(C)n2)cn1
InChIInChI=1S/C24H30N6O4/c1-29-10-9-25-24-20(29)6-5-18(27-24)8-11-34-22-14-19(28-30(22)2)12-17(13-23(31)32)16-4-7-21(33-3)26-15-16/h4-7,14-15,17H,8-13H2,1-3H3,(H,25,27)(H,31,32)
InChIKeyKMFLFXDQOHQIJS-UHFFFAOYSA-N
MW466.54 g/mol
LogP2.50
Rot. Bonds10

About 3-(6-methoxy-3-pyridinyl)-4-[1-methyl-5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]pyrazol-3-yl]butanoic acid

3-(6-methoxy-3-pyridinyl)-4-[1-methyl-5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]pyrazol-3-yl]butanoic acid (PubChem CID 10096078) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-4-[1-methyl-5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]pyrazol-3-yl]butanoic acid.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-4-[1-methyl-5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]pyrazol-3-yl]butanoic acid
PubChem CID10096078
Molecular FormulaC24H30N6O4
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC Name3-(6-methoxy-3-pyridinyl)-4-[1-methyl-5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]pyrazol-3-yl]butanoic acid
SMILESCOc1ccc(C(CC(=O)O)Cc2cc(OCCc3ccc4c(n3)NCCN4C)n(C)n2)cn1
InChIInChI=1S/C24H30N6O4/c1-29-10-9-25-24-20(29)6-5-18(27-24)8-11-34-22-14-19(28-30(22)2)12-17(13-23(31)32)16-4-7-21(33-3)26-15-16/h4-7,14-15,17H,8-13H2,1-3H3,(H,25,27)(H,31,32)
InChIKeyKMFLFXDQOHQIJS-UHFFFAOYSA-N
XLogP2.50
TPSA114.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

MK-0429
CID 9853559
3-(6-methoxypyridin-3-yl)-4-(1-methyl-5-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy)-1H-pyrazol-3-yl)butanoic acid
CID 10072507
3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl)ethoxy)-1H-pyrazol-3-yl)butanoic acid
CID 10096030
(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-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(1-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl)ethoxy)-1H-pyrazol-3-yl)butanoic acid
CID 10367832
(S)-3-(6-Methoxy-pyridin-3-yl)-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid
CID 11486328
(3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[3-(3-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-oxoimidazolidin-1-yl]propanoic acid
CID 44393621
(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
(3S)-3-(6-methoxy-3-pyridinyl)-3-[3-[3-[(7S)-7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]propyl]-2-oxoimidazolidin-1-yl]propanoic acid
CID 44393766
2-[1-[3-(6-Methoxy-3-pyridinyl)-6-oxo-5-(2-propoxyethyl)pyrimido[5,4-c]pyridazin-8-yl]piperidin-4-yl]acetic acid
CID 57391120
trans-(1R,2R)-2-[[3-(6-methoxy-3-pyridinyl)-6-oxo-5-(2-propoxyethyl)pyrimido[5,4-c]pyridazin-8-yl]amino]cyclohexane-1-carboxylic acid
CID 57394624
4-[[3-(6-Methoxy-3-pyridinyl)-6-oxo-5-(2-propoxyethyl)pyrimido[5,4-c]pyridazin-8-yl]amino]cyclohexane-1-carboxylic acid
CID 57401599

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-4-[1-methyl-5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]pyrazol-3-yl]butanoic acid?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-4-[1-methyl-5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]pyrazol-3-yl]butanoic acid (CID 10096078) is 3-(6-methoxy-3-pyridinyl)-4-[1-methyl-5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]pyrazol-3-yl]butanoic acid.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-4-[1-methyl-5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]pyrazol-3-yl]butanoic acid?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-4-[1-methyl-5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]pyrazol-3-yl]butanoic acid is COc1ccc(C(CC(=O)O)Cc2cc(OCCc3ccc4c(n3)NCCN4C)n(C)n2)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-4-[1-methyl-5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]pyrazol-3-yl]butanoic acid?
The InChIKey is KMFLFXDQOHQIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4/c1-29-10-9-25-24-20(29)6-5-18(27-24)8-11-34-22-14-19(28-30(22)2)12-17(13-23(31)32)16-4-7-21(33-3)26-15-16/h4-7,14-15,17H,8-13H2,1-3H3,(H,25,27)(H,31,32).
What are the key properties of 3-(6-methoxy-3-pyridinyl)-4-[1-methyl-5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]pyrazol-3-yl]butanoic acid?
3-(6-methoxy-3-pyridinyl)-4-[1-methyl-5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]pyrazol-3-yl]butanoic acid has a molecular weight of 466.54 g/mol, XLogP of 2.50, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-4-[1-methyl-5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]pyrazol-3-yl]butanoic acid is sourced from PubChem (CID 10096078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).