(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

C16H23N5O — CID 119543986

IUPAC(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cnc3c(c2)c(C)nn3C)CC1
InChIInChI=1S/C16H23N5O/c1-11-14-8-13(10-18-15(14)20(3)19-11)16(22)21-6-4-12(5-7-21)9-17-2/h8,10,12,17H,4-7,9H2,1-3H3
InChIKeySJFIIICTYJOUPM-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.35
Rot. Bonds3

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

(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119543986) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID119543986
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cnc3c(c2)c(C)nn3C)CC1
InChIInChI=1S/C16H23N5O/c1-11-14-8-13(10-18-15(14)20(3)19-11)16(22)21-6-4-12(5-7-21)9-17-2/h8,10,12,17H,4-7,9H2,1-3H3
InChIKeySJFIIICTYJOUPM-UHFFFAOYSA-N
XLogP1.35
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
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)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 119543986) is (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)c2cnc3c(c2)c(C)nn3C)CC1.
What is the InChIKey of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is SJFIIICTYJOUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-11-14-8-13(10-18-15(14)20(3)19-11)16(22)21-6-4-12(5-7-21)9-17-2/h8,10,12,17H,4-7,9H2,1-3H3.
What are the key properties of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 301.39 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 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)-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119543986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).