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Ethane;3-[3-(4-methylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C26H25N5 — CID 171068731

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethane;3-[3-(4-methylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESCC.Cc1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccccc4)nc32)cc1
InChIInChI=1S/C24H19N5.C2H6/c1-16-9-11-18(12-10-16)29-23(19-8-5-15-26-22(19)25)28-21-14-13-20(27-24(21)29)17-6-3-2-4-7-17;1-2/h2-15H,1H3,(H2,25,26);1-2H3
InChIKeyMCKDRXQXUZLBHP-UHFFFAOYSA-N
MW407.52 g/mol
LogP6.07
Rot. Bonds3

About Ethane;3-[3-(4-methylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

Ethane;3-[3-(4-methylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 171068731) has the molecular formula C26H25N5 and a molecular weight of 407.52 g/mol. Its IUPAC name is ethane;3-[3-(4-methylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameEthane;3-[3-(4-methylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID171068731
Molecular FormulaC26H25N5
Molecular Weight407.52 g/mol
Exact Mass407.21
IUPAC Nameethane;3-[3-(4-methylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESCC.Cc1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccccc4)nc32)cc1
InChIInChI=1S/C24H19N5.C2H6/c1-16-9-11-18(12-10-16)29-23(19-8-5-15-26-22(19)25)28-21-14-13-20(27-24(21)29)17-6-3-2-4-7-17;1-2/h2-15H,1H3,(H2,25,26);1-2H3
InChIKeyMCKDRXQXUZLBHP-UHFFFAOYSA-N
XLogP6.07
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of Ethane;3-[3-(4-methylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of Ethane;3-[3-(4-methylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 171068731) is ethane;3-[3-(4-methylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for Ethane;3-[3-(4-methylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for Ethane;3-[3-(4-methylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is CC.Cc1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccccc4)nc32)cc1.
What is the InChIKey of Ethane;3-[3-(4-methylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is MCKDRXQXUZLBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5.C2H6/c1-16-9-11-18(12-10-16)29-23(19-8-5-15-26-22(19)25)28-21-14-13-20(27-24(21)29)17-6-3-2-4-7-17;1-2/h2-15H,1H3,(H2,25,26);1-2H3.
What are the key properties of Ethane;3-[3-(4-methylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
Ethane;3-[3-(4-methylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 407.52 g/mol, XLogP of 6.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Ethane;3-[3-(4-methylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 171068731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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