4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylpyrazolo[3,4-b]pyridine

C15H20N4O2 — CID 124885077

IUPAC4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylpyrazolo[3,4-b]pyridine
SMILESCn1ncc2c(N3CCC[C@@H](C4OCCO4)C3)ccnc21
InChIInChI=1S/C15H20N4O2/c1-18-14-12(9-17-18)13(4-5-16-14)19-6-2-3-11(10-19)15-20-7-8-21-15/h4-5,9,11,15H,2-3,6-8,10H2,1H3/t11-/m1/s1
InChIKeyDMJQDKHAUCFOAE-LLVKDONJSA-N
MW288.35 g/mol
LogP1.56
Rot. Bonds2

About 4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylpyrazolo[3,4-b]pyridine

4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylpyrazolo[3,4-b]pyridine (PubChem CID 124885077) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylpyrazolo[3,4-b]pyridine
PubChem CID124885077
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylpyrazolo[3,4-b]pyridine
SMILESCn1ncc2c(N3CCC[C@@H](C4OCCO4)C3)ccnc21
InChIInChI=1S/C15H20N4O2/c1-18-14-12(9-17-18)13(4-5-16-14)19-6-2-3-11(10-19)15-20-7-8-21-15/h4-5,9,11,15H,2-3,6-8,10H2,1H3/t11-/m1/s1
InChIKeyDMJQDKHAUCFOAE-LLVKDONJSA-N
XLogP1.56
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylpyrazolo[3,4-b]pyridine with MolForge

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Related Compounds

trans-(1S,2S)-2-[(2R)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 129485289
5-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-8-nitroisoquinoline
CID 95271648
1-methyl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrazolo[3,4-b]pyridine
CID 155100110
(4R)-4-methyl-2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-6-piperazin-1-yl-3,4-dihydro-1H-isoquinoline
CID 163552103
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 43088533
(3S)-1-thieno[2,3-b]pyridin-4-ylpiperidin-3-amine
CID 141411026
methyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 78920258
2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
CID 62357139
[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 94521513
3-(3,5-dimethylpyrazol-1-yl)-6-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]pyridazine
CID 75421709
1-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 97075285
1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one
CID 86808998

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylpyrazolo[3,4-b]pyridine?
The IUPAC name of 4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylpyrazolo[3,4-b]pyridine (CID 124885077) is 4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylpyrazolo[3,4-b]pyridine is Cn1ncc2c(N3CCC[C@@H](C4OCCO4)C3)ccnc21.
What is the InChIKey of 4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylpyrazolo[3,4-b]pyridine?
The InChIKey is DMJQDKHAUCFOAE-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-18-14-12(9-17-18)13(4-5-16-14)19-6-2-3-11(10-19)15-20-7-8-21-15/h4-5,9,11,15H,2-3,6-8,10H2,1H3/t11-/m1/s1.
What are the key properties of 4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylpyrazolo[3,4-b]pyridine?
4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylpyrazolo[3,4-b]pyridine has a molecular weight of 288.35 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 124885077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).