6-tert-butyl-1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-amine

C19H24N4 — CID 163248692

IUPAC6-tert-butyl-1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-amine
SMILESCc1cc(C)c(-n2nc(N)c3ccc(C(C)(C)C)nc32)c(C)c1
InChIInChI=1S/C19H24N4/c1-11-9-12(2)16(13(3)10-11)23-18-14(17(20)22-23)7-8-15(21-18)19(4,5)6/h7-10H,1-6H3,(H2,20,22)
InChIKeyHSNXXFSFENTMMO-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.23
Rot. Bonds1

About 6-tert-butyl-1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-amine

6-tert-butyl-1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-amine (PubChem CID 163248692) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 6-tert-butyl-1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound Name6-tert-butyl-1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-amine
PubChem CID163248692
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name6-tert-butyl-1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-amine
SMILESCc1cc(C)c(-n2nc(N)c3ccc(C(C)(C)C)nc32)c(C)c1
InChIInChI=1S/C19H24N4/c1-11-9-12(2)16(13(3)10-11)23-18-14(17(20)22-23)7-8-15(21-18)19(4,5)6/h7-10H,1-6H3,(H2,20,22)
InChIKeyHSNXXFSFENTMMO-UHFFFAOYSA-N
XLogP4.23
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-amine?
The IUPAC name of 6-tert-butyl-1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-amine (CID 163248692) is 6-tert-butyl-1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for 6-tert-butyl-1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for 6-tert-butyl-1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-amine is Cc1cc(C)c(-n2nc(N)c3ccc(C(C)(C)C)nc32)c(C)c1.
What is the InChIKey of 6-tert-butyl-1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-amine?
The InChIKey is HSNXXFSFENTMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-11-9-12(2)16(13(3)10-11)23-18-14(17(20)22-23)7-8-15(21-18)19(4,5)6/h7-10H,1-6H3,(H2,20,22).
What are the key properties of 6-tert-butyl-1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-amine?
6-tert-butyl-1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 308.43 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 163248692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).