N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,6-dimethylpiperidin-1-amine

C16H25N5 — CID 83009426

IUPACN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,6-dimethylpiperidin-1-amine
SMILESCc1nn(C)c2ncc(CNN3C(C)CCCC3C)cc12
InChIInChI=1S/C16H25N5/c1-11-6-5-7-12(2)21(11)18-10-14-8-15-13(3)19-20(4)16(15)17-9-14/h8-9,11-12,18H,5-7,10H2,1-4H3
InChIKeyPQDPTRHEWOOAHC-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.54
Rot. Bonds3

About N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,6-dimethylpiperidin-1-amine

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,6-dimethylpiperidin-1-amine (PubChem CID 83009426) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,6-dimethylpiperidin-1-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,6-dimethylpiperidin-1-amine
PubChem CID83009426
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,6-dimethylpiperidin-1-amine
SMILESCc1nn(C)c2ncc(CNN3C(C)CCCC3C)cc12
InChIInChI=1S/C16H25N5/c1-11-6-5-7-12(2)21(11)18-10-14-8-15-13(3)19-20(4)16(15)17-9-14/h8-9,11-12,18H,5-7,10H2,1-4H3
InChIKeyPQDPTRHEWOOAHC-UHFFFAOYSA-N
XLogP2.54
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,6-dimethylpiperidin-1-amine?
The IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,6-dimethylpiperidin-1-amine (CID 83009426) is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,6-dimethylpiperidin-1-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,6-dimethylpiperidin-1-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,6-dimethylpiperidin-1-amine is Cc1nn(C)c2ncc(CNN3C(C)CCCC3C)cc12.
What is the InChIKey of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,6-dimethylpiperidin-1-amine?
The InChIKey is PQDPTRHEWOOAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-11-6-5-7-12(2)21(11)18-10-14-8-15-13(3)19-20(4)16(15)17-9-14/h8-9,11-12,18H,5-7,10H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,6-dimethylpiperidin-1-amine?
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,6-dimethylpiperidin-1-amine has a molecular weight of 287.41 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,6-dimethylpiperidin-1-amine is sourced from PubChem (CID 83009426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).