3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one

C26H32N4O3 — CID 55956338

IUPAC3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)N3CCC(C(=O)c4ccc(C)cc4)CC3)c(C)c12
InChIInChI=1S/C26H32N4O3/c1-16-6-8-19(9-7-16)24(32)20-12-14-30(15-13-20)22(31)11-10-21-17(2)23-25(27-18(21)3)29(4)28-26(23)33-5/h6-9,20H,10-15H2,1-5H3
InChIKeyOIKDZSWBBDRVMA-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.96
Rot. Bonds6

About 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one

3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one (PubChem CID 55956338) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one
PubChem CID55956338
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)N3CCC(C(=O)c4ccc(C)cc4)CC3)c(C)c12
InChIInChI=1S/C26H32N4O3/c1-16-6-8-19(9-7-16)24(32)20-12-14-30(15-13-20)22(31)11-10-21-17(2)23-25(27-18(21)3)29(4)28-26(23)33-5/h6-9,20H,10-15H2,1-5H3
InChIKeyOIKDZSWBBDRVMA-UHFFFAOYSA-N
XLogP3.96
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(aminomethyl)piperidin-1-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
CID 119423405
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119561739
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 112820934
N-methyl-1-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]piperidine-4-carboxamide
CID 30888762
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 55904394
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25476995
1-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113261
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
CID 120806197
ethyl 1-[3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoyl]piperidine-4-carboxylate
CID 23603484
N-cyclohexyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 38016467
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-phenylpropanamide
CID 38017763

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one (CID 55956338) is 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one is COc1nn(C)c2nc(C)c(CCC(=O)N3CCC(C(=O)c4ccc(C)cc4)CC3)c(C)c12.
What is the InChIKey of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one?
The InChIKey is OIKDZSWBBDRVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-16-6-8-19(9-7-16)24(32)20-12-14-30(15-13-20)22(31)11-10-21-17(2)23-25(27-18(21)3)29(4)28-26(23)33-5/h6-9,20H,10-15H2,1-5H3.
What are the key properties of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one?
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one has a molecular weight of 448.57 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 55956338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).