5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one

C18H26N4O3 — CID 136789627

IUPAC5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(C)c2[nH]c(=O)c(CCC(=O)N3C[C@@H](C)O[C@@H](C)C3)c(C)c12
InChIInChI=1S/C18H26N4O3/c1-10-8-22(9-11(2)25-10)15(23)7-6-14-12(3)16-13(4)20-21(5)17(16)19-18(14)24/h10-11H,6-9H2,1-5H3,(H,19,24)/t10-,11+
InChIKeyARKDQJYTYFLOOG-PHIMTYICSA-N
MW346.43 g/mol
LogP1.45
Rot. Bonds3

About 5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one

5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136789627) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136789627
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(C)c2[nH]c(=O)c(CCC(=O)N3C[C@@H](C)O[C@@H](C)C3)c(C)c12
InChIInChI=1S/C18H26N4O3/c1-10-8-22(9-11(2)25-10)15(23)7-6-14-12(3)16-13(4)20-21(5)17(16)19-18(14)24/h10-11H,6-9H2,1-5H3,(H,19,24)/t10-,11+
InChIKeyARKDQJYTYFLOOG-PHIMTYICSA-N
XLogP1.45
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137296617
5-[3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 136799775
N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 136924450
N-(1-hydroxy-4-methylpentan-3-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 136899017
5-[3-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 137232152
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 136528797
methyl 3-methyl-2-[3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoylamino]butanoate
CID 136844122
N-[(1-phenylcyclopropyl)methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 135938918
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)propan-1-one
CID 95740924
N-(4-fluoro-2-methoxyphenyl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 136844124
N-(1H-benzimidazol-2-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 135901411
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 4768989

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 136789627) is 5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N3C[C@@H](C)O[C@@H](C)C3)c(C)c12.
What is the InChIKey of 5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is ARKDQJYTYFLOOG-PHIMTYICSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-10-8-22(9-11(2)25-10)15(23)7-6-14-12(3)16-13(4)20-21(5)17(16)19-18(14)24/h10-11H,6-9H2,1-5H3,(H,19,24)/t10-,11+.
What are the key properties of 5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 346.43 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3,4-trimethyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136789627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).