1-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]-6-methylpiperidine-3-carboxylic acid

C20H28N4O4 — CID 122113261

IUPAC1-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]-6-methylpiperidine-3-carboxylic acid
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)N3CC(C(=O)O)CCC3C)c(C)c12
InChIInChI=1S/C20H28N4O4/c1-11-6-7-14(20(26)27)10-24(11)16(25)9-8-15-12(2)17-18(21-13(15)3)23(4)22-19(17)28-5/h11,14H,6-10H2,1-5H3,(H,26,27)
InChIKeyDIHSWWPEZQEOOZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.24
Rot. Bonds5

About 1-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]-6-methylpiperidine-3-carboxylic acid

1-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]-6-methylpiperidine-3-carboxylic acid (PubChem CID 122113261) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]-6-methylpiperidine-3-carboxylic acid
PubChem CID122113261
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name1-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]-6-methylpiperidine-3-carboxylic acid
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)N3CC(C(=O)O)CCC3C)c(C)c12
InChIInChI=1S/C20H28N4O4/c1-11-6-7-14(20(26)27)10-24(11)16(25)9-8-15-12(2)17-18(21-13(15)3)23(4)22-19(17)28-5/h11,14H,6-10H2,1-5H3,(H,26,27)
InChIKeyDIHSWWPEZQEOOZ-UHFFFAOYSA-N
XLogP2.24
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]-6-methylpiperidine-3-carboxylic acid (CID 122113261) is 1-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]-6-methylpiperidine-3-carboxylic acid is COc1nn(C)c2nc(C)c(CCC(=O)N3CC(C(=O)O)CCC3C)c(C)c12.
What is the InChIKey of 1-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]-6-methylpiperidine-3-carboxylic acid?
The InChIKey is DIHSWWPEZQEOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-11-6-7-14(20(26)27)10-24(11)16(25)9-8-15-12(2)17-18(21-13(15)3)23(4)22-19(17)28-5/h11,14H,6-10H2,1-5H3,(H,26,27).
What are the key properties of 1-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]-6-methylpiperidine-3-carboxylic acid?
1-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]-6-methylpiperidine-3-carboxylic acid has a molecular weight of 388.47 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122113261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).