1,3-dimethyl-N-(2-methylpentyl)pyrazolo[5,4-b]pyridin-5-amine

C14H22N4 — CID 43725533

IUPAC1,3-dimethyl-N-(2-methylpentyl)pyrazolo[5,4-b]pyridin-5-amine
SMILESCCCC(C)CNc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C14H22N4/c1-5-6-10(2)8-15-12-7-13-11(3)17-18(4)14(13)16-9-12/h7,9-10,15H,5-6,8H2,1-4H3
InChIKeyKCZIIYOGZDYDFP-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.12
Rot. Bonds5

About 1,3-dimethyl-N-(2-methylpentyl)pyrazolo[5,4-b]pyridin-5-amine

1,3-dimethyl-N-(2-methylpentyl)pyrazolo[5,4-b]pyridin-5-amine (PubChem CID 43725533) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-methylpentyl)pyrazolo[5,4-b]pyridin-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-methylpentyl)pyrazolo[5,4-b]pyridin-5-amine
PubChem CID43725533
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1,3-dimethyl-N-(2-methylpentyl)pyrazolo[5,4-b]pyridin-5-amine
SMILESCCCC(C)CNc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C14H22N4/c1-5-6-10(2)8-15-12-7-13-11(3)17-18(4)14(13)16-9-12/h7,9-10,15H,5-6,8H2,1-4H3
InChIKeyKCZIIYOGZDYDFP-UHFFFAOYSA-N
XLogP3.12
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-methylpentyl)pyrazolo[5,4-b]pyridin-5-amine?
The IUPAC name of 1,3-dimethyl-N-(2-methylpentyl)pyrazolo[5,4-b]pyridin-5-amine (CID 43725533) is 1,3-dimethyl-N-(2-methylpentyl)pyrazolo[5,4-b]pyridin-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-(2-methylpentyl)pyrazolo[5,4-b]pyridin-5-amine?
The canonical SMILES for 1,3-dimethyl-N-(2-methylpentyl)pyrazolo[5,4-b]pyridin-5-amine is CCCC(C)CNc1cnc2c(c1)c(C)nn2C.
What is the InChIKey of 1,3-dimethyl-N-(2-methylpentyl)pyrazolo[5,4-b]pyridin-5-amine?
The InChIKey is KCZIIYOGZDYDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-5-6-10(2)8-15-12-7-13-11(3)17-18(4)14(13)16-9-12/h7,9-10,15H,5-6,8H2,1-4H3.
What are the key properties of 1,3-dimethyl-N-(2-methylpentyl)pyrazolo[5,4-b]pyridin-5-amine?
1,3-dimethyl-N-(2-methylpentyl)pyrazolo[5,4-b]pyridin-5-amine has a molecular weight of 246.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-methylpentyl)pyrazolo[5,4-b]pyridin-5-amine is sourced from PubChem (CID 43725533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).