4-methyl-6-[2-[6-(3-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]ethyl]pyridin-2-amine

C27H25N5O — CID 11247561

IUPAC4-methyl-6-[2-[6-(3-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]ethyl]pyridin-2-amine
SMILESCc1cc(N)nc(CCc2nc3ncc(-c4cccc(OCc5ccccc5)c4)cc3[nH]2)c1
InChIInChI=1S/C27H25N5O/c1-18-12-22(30-25(28)13-18)10-11-26-31-24-15-21(16-29-27(24)32-26)20-8-5-9-23(14-20)33-17-19-6-3-2-4-7-19/h2-9,12-16H,10-11,17H2,1H3,(H2,28,30)(H,29,31,32)
InChIKeyQHRNEEVPKPLWSF-UHFFFAOYSA-N
MW435.53 g/mol
LogP5.27
Rot. Bonds7

About 4-methyl-6-[2-[6-(3-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]ethyl]pyridin-2-amine

4-methyl-6-[2-[6-(3-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]ethyl]pyridin-2-amine (PubChem CID 11247561) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is 4-methyl-6-[2-[6-(3-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[2-[6-(3-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]ethyl]pyridin-2-amine
PubChem CID11247561
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC Name4-methyl-6-[2-[6-(3-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]ethyl]pyridin-2-amine
SMILESCc1cc(N)nc(CCc2nc3ncc(-c4cccc(OCc5ccccc5)c4)cc3[nH]2)c1
InChIInChI=1S/C27H25N5O/c1-18-12-22(30-25(28)13-18)10-11-26-31-24-15-21(16-29-27(24)32-26)20-8-5-9-23(14-20)33-17-19-6-3-2-4-7-19/h2-9,12-16H,10-11,17H2,1H3,(H2,28,30)(H,29,31,32)
InChIKeyQHRNEEVPKPLWSF-UHFFFAOYSA-N
XLogP5.27
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[2-[6-(3-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]ethyl]pyridin-2-amine?
The IUPAC name of 4-methyl-6-[2-[6-(3-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]ethyl]pyridin-2-amine (CID 11247561) is 4-methyl-6-[2-[6-(3-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]ethyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-6-[2-[6-(3-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]ethyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-6-[2-[6-(3-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]ethyl]pyridin-2-amine is Cc1cc(N)nc(CCc2nc3ncc(-c4cccc(OCc5ccccc5)c4)cc3[nH]2)c1.
What is the InChIKey of 4-methyl-6-[2-[6-(3-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]ethyl]pyridin-2-amine?
The InChIKey is QHRNEEVPKPLWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O/c1-18-12-22(30-25(28)13-18)10-11-26-31-24-15-21(16-29-27(24)32-26)20-8-5-9-23(14-20)33-17-19-6-3-2-4-7-19/h2-9,12-16H,10-11,17H2,1H3,(H2,28,30)(H,29,31,32).
What are the key properties of 4-methyl-6-[2-[6-(3-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]ethyl]pyridin-2-amine?
4-methyl-6-[2-[6-(3-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]ethyl]pyridin-2-amine has a molecular weight of 435.53 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[2-[6-(3-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]ethyl]pyridin-2-amine is sourced from PubChem (CID 11247561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).