3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C26H24N6 — CID 53262404

IUPAC3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESCC(C)(N)c1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccccc4)nc32)cc1
InChIInChI=1S/C26H24N6/c1-26(2,28)18-10-12-19(13-11-18)32-24(20-9-6-16-29-23(20)27)31-22-15-14-21(30-25(22)32)17-7-4-3-5-8-17/h3-16H,28H2,1-2H3,(H2,27,29)
InChIKeyPEFKURKDJJKTQW-UHFFFAOYSA-N
MW420.52 g/mol
LogP4.93
Rot. Bonds4

About 3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 53262404) has the molecular formula C26H24N6 and a molecular weight of 420.52 g/mol. Its IUPAC name is 3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID53262404
Molecular FormulaC26H24N6
Molecular Weight420.52 g/mol
Exact Mass420.21
IUPAC Name3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESCC(C)(N)c1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccccc4)nc32)cc1
InChIInChI=1S/C26H24N6/c1-26(2,28)18-10-12-19(13-11-18)32-24(20-9-6-16-29-23(20)27)31-22-15-14-21(30-25(22)32)17-7-4-3-5-8-17/h3-16H,28H2,1-2H3,(H2,27,29)
InChIKeyPEFKURKDJJKTQW-UHFFFAOYSA-N
XLogP4.93
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 53262404) is 3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is CC(C)(N)c1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccccc4)nc32)cc1.
What is the InChIKey of 3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is PEFKURKDJJKTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6/c1-26(2,28)18-10-12-19(13-11-18)32-24(20-9-6-16-29-23(20)27)31-22-15-14-21(30-25(22)32)17-7-4-3-5-8-17/h3-16H,28H2,1-2H3,(H2,27,29).
What are the key properties of 3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 420.52 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2-aminopropan-2-yl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 53262404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).