(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone

C17H24N4O2 — CID 95588132

IUPAC(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone
SMILESCCCO[C@@H]1CCCN(C(=O)c2cnc3c(c2)c(C)nn3C)C1
InChIInChI=1S/C17H24N4O2/c1-4-8-23-14-6-5-7-21(11-14)17(22)13-9-15-12(2)19-20(3)16(15)18-10-13/h9-10,14H,4-8,11H2,1-3H3/t14-/m1/s1
InChIKeyJXVGUJJNTJMGNY-CQSZACIVSA-N
MW316.41 g/mol
LogP2.31
Rot. Bonds4

About (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone

(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone (PubChem CID 95588132) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone
PubChem CID95588132
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone
SMILESCCCO[C@@H]1CCCN(C(=O)c2cnc3c(c2)c(C)nn3C)C1
InChIInChI=1S/C17H24N4O2/c1-4-8-23-14-6-5-7-21(11-14)17(22)13-9-15-12(2)19-20(3)16(15)18-10-13/h9-10,14H,4-8,11H2,1-3H3/t14-/m1/s1
InChIKeyJXVGUJJNTJMGNY-CQSZACIVSA-N
XLogP2.31
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone?
The IUPAC name of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone (CID 95588132) is (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone is CCCO[C@@H]1CCCN(C(=O)c2cnc3c(c2)c(C)nn3C)C1.
What is the InChIKey of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone?
The InChIKey is JXVGUJJNTJMGNY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-4-8-23-14-6-5-7-21(11-14)17(22)13-9-15-12(2)19-20(3)16(15)18-10-13/h9-10,14H,4-8,11H2,1-3H3/t14-/m1/s1.
What are the key properties of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone?
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone has a molecular weight of 316.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone is sourced from PubChem (CID 95588132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).