2-(2-amino-3-pyridinyl)-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-6-amine

C21H22N6 — CID 58344981

IUPAC2-(2-amino-3-pyridinyl)-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-6-amine
SMILESCC(C)(C)c1ccc(-n2c(-c3cccnc3N)nc3cc(N)cnc32)cc1
InChIInChI=1S/C21H22N6/c1-21(2,3)13-6-8-15(9-7-13)27-19(16-5-4-10-24-18(16)23)26-17-11-14(22)12-25-20(17)27/h4-12H,22H2,1-3H3,(H2,23,24)
InChIKeyHIHLIQPMDLKDPU-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.94
Rot. Bonds2

About 2-(2-amino-3-pyridinyl)-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-6-amine

2-(2-amino-3-pyridinyl)-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-6-amine (PubChem CID 58344981) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-(2-amino-3-pyridinyl)-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound Name2-(2-amino-3-pyridinyl)-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-6-amine
PubChem CID58344981
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name2-(2-amino-3-pyridinyl)-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-6-amine
SMILESCC(C)(C)c1ccc(-n2c(-c3cccnc3N)nc3cc(N)cnc32)cc1
InChIInChI=1S/C21H22N6/c1-21(2,3)13-6-8-15(9-7-13)27-19(16-5-4-10-24-18(16)23)26-17-11-14(22)12-25-20(17)27/h4-12H,22H2,1-3H3,(H2,23,24)
InChIKeyHIHLIQPMDLKDPU-UHFFFAOYSA-N
XLogP3.94
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-pyridinyl)-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-6-amine?
The IUPAC name of 2-(2-amino-3-pyridinyl)-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-6-amine (CID 58344981) is 2-(2-amino-3-pyridinyl)-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-6-amine.
What is the SMILES notation for 2-(2-amino-3-pyridinyl)-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-6-amine?
The canonical SMILES for 2-(2-amino-3-pyridinyl)-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-6-amine is CC(C)(C)c1ccc(-n2c(-c3cccnc3N)nc3cc(N)cnc32)cc1.
What is the InChIKey of 2-(2-amino-3-pyridinyl)-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-6-amine?
The InChIKey is HIHLIQPMDLKDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-21(2,3)13-6-8-15(9-7-13)27-19(16-5-4-10-24-18(16)23)26-17-11-14(22)12-25-20(17)27/h4-12H,22H2,1-3H3,(H2,23,24).
What are the key properties of 2-(2-amino-3-pyridinyl)-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-6-amine?
2-(2-amino-3-pyridinyl)-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-6-amine has a molecular weight of 358.45 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-pyridinyl)-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 58344981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).