6-[(3S)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine

C23H28N4O3 — CID 92630724

IUPAC6-[(3S)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine
SMILESCOc1cc2c(cc1CN1CCC[C@H](c3ccc4c(C)nn(C)c4n3)C1)OCCO2
InChIInChI=1S/C23H28N4O3/c1-15-18-6-7-19(24-23(18)26(2)25-15)16-5-4-8-27(13-16)14-17-11-21-22(12-20(17)28-3)30-10-9-29-21/h6-7,11-12,16H,4-5,8-10,13-14H2,1-3H3/t16-/m0/s1
InChIKeyGJCBPPIJSHTOMO-INIZCTEOSA-N
MW408.50 g/mol
LogP3.44
Rot. Bonds4

About 6-[(3S)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine

6-[(3S)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine (PubChem CID 92630724) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 6-[(3S)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-[(3S)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine
PubChem CID92630724
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name6-[(3S)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine
SMILESCOc1cc2c(cc1CN1CCC[C@H](c3ccc4c(C)nn(C)c4n3)C1)OCCO2
InChIInChI=1S/C23H28N4O3/c1-15-18-6-7-19(24-23(18)26(2)25-15)16-5-4-8-27(13-16)14-17-11-21-22(12-20(17)28-3)30-10-9-29-21/h6-7,11-12,16H,4-5,8-10,13-14H2,1-3H3/t16-/m0/s1
InChIKeyGJCBPPIJSHTOMO-INIZCTEOSA-N
XLogP3.44
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[(3S)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine with MolForge

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Related Compounds

3-[[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-N-methylpyridin-2-amine
CID 125025982
5-[2-[1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
CID 110252522
4-[[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 110118585
6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine
CID 125012175
N-[2-[(3S)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
CID 95834979
6-[(3S)-1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine
CID 124974081
N-[2-[(3R)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine
CID 95834980
2-[(3R)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-4-phenyl-1H-imidazole-5-carboxamide
CID 92620322
5-[1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 131925191
4-[1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765809
1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidine-3-carboxylic acid
CID 91779862
1-[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 125027002

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine?
The IUPAC name of 6-[(3S)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine (CID 92630724) is 6-[(3S)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-[(3S)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-[(3S)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine is COc1cc2c(cc1CN1CCC[C@H](c3ccc4c(C)nn(C)c4n3)C1)OCCO2.
What is the InChIKey of 6-[(3S)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine?
The InChIKey is GJCBPPIJSHTOMO-INIZCTEOSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-15-18-6-7-19(24-23(18)26(2)25-15)16-5-4-8-27(13-16)14-17-11-21-22(12-20(17)28-3)30-10-9-29-21/h6-7,11-12,16H,4-5,8-10,13-14H2,1-3H3/t16-/m0/s1.
What are the key properties of 6-[(3S)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine?
6-[(3S)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine has a molecular weight of 408.50 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 92630724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).