N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine

C16H24N4 — CID 79828815

IUPACN-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
SMILESCc1nn(C)c2ncc(NC3CCCCC3(C)C)cc12
InChIInChI=1S/C16H24N4/c1-11-13-9-12(10-17-15(13)20(4)19-11)18-14-7-5-6-8-16(14,2)3/h9-10,14,18H,5-8H2,1-4H3
InChIKeyDTDKIYQJKMFOQQ-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.66
Rot. Bonds2

About N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine

N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine (PubChem CID 79828815) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
PubChem CID79828815
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
SMILESCc1nn(C)c2ncc(NC3CCCCC3(C)C)cc12
InChIInChI=1S/C16H24N4/c1-11-13-9-12(10-17-15(13)20(4)19-11)18-14-7-5-6-8-16(14,2)3/h9-10,14,18H,5-8H2,1-4H3
InChIKeyDTDKIYQJKMFOQQ-UHFFFAOYSA-N
XLogP3.66
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine (CID 79828815) is N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine is Cc1nn(C)c2ncc(NC3CCCCC3(C)C)cc12.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The InChIKey is DTDKIYQJKMFOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-11-13-9-12(10-17-15(13)20(4)19-11)18-14-7-5-6-8-16(14,2)3/h9-10,14,18H,5-8H2,1-4H3.
What are the key properties of N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine has a molecular weight of 272.40 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine is sourced from PubChem (CID 79828815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).