2-[[4-methyl-5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]amino]ethanol

C21H21N5O — CID 138566809

IUPAC2-[[4-methyl-5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]amino]ethanol
SMILESCc1ccc(-n2c(-c3cnc(NCCO)cc3C)nc3ccncc32)cc1
InChIInChI=1S/C21H21N5O/c1-14-3-5-16(6-4-14)26-19-13-22-8-7-18(19)25-21(26)17-12-24-20(11-15(17)2)23-9-10-27/h3-8,11-13,27H,9-10H2,1-2H3,(H,23,24)
InChIKeyKJRJTOGVFBIGDM-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.50
Rot. Bonds5

About 2-[[4-methyl-5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]amino]ethanol

2-[[4-methyl-5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]amino]ethanol (PubChem CID 138566809) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[[4-methyl-5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-methyl-5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]amino]ethanol
PubChem CID138566809
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name2-[[4-methyl-5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]amino]ethanol
SMILESCc1ccc(-n2c(-c3cnc(NCCO)cc3C)nc3ccncc32)cc1
InChIInChI=1S/C21H21N5O/c1-14-3-5-16(6-4-14)26-19-13-22-8-7-18(19)25-21(26)17-12-24-20(11-15(17)2)23-9-10-27/h3-8,11-13,27H,9-10H2,1-2H3,(H,23,24)
InChIKeyKJRJTOGVFBIGDM-UHFFFAOYSA-N
XLogP3.50
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[4-methyl-5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]amino]ethanol (CID 138566809) is 2-[[4-methyl-5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[4-methyl-5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[4-methyl-5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]amino]ethanol is Cc1ccc(-n2c(-c3cnc(NCCO)cc3C)nc3ccncc32)cc1.
What is the InChIKey of 2-[[4-methyl-5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]amino]ethanol?
The InChIKey is KJRJTOGVFBIGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-14-3-5-16(6-4-14)26-19-13-22-8-7-18(19)25-21(26)17-12-24-20(11-15(17)2)23-9-10-27/h3-8,11-13,27H,9-10H2,1-2H3,(H,23,24).
What are the key properties of 2-[[4-methyl-5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]amino]ethanol?
2-[[4-methyl-5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]amino]ethanol has a molecular weight of 359.43 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 138566809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).