2-[[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]amino]ethanol

C18H14ClFN6O — CID 129237744

IUPAC2-[[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]amino]ethanol
SMILESOCCNc1ncc(-c2nc3ccncc3n2-c2ccc(Cl)cc2F)cn1
InChIInChI=1S/C18H14ClFN6O/c19-12-1-2-15(13(20)7-12)26-16-10-21-4-3-14(16)25-17(26)11-8-23-18(24-9-11)22-5-6-27/h1-4,7-10,27H,5-6H2,(H,22,23,24)
InChIKeyQYHOVXAQPOHPIH-UHFFFAOYSA-N
MW384.80 g/mol
LogP3.07
Rot. Bonds5

About 2-[[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]amino]ethanol

2-[[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]amino]ethanol (PubChem CID 129237744) has the molecular formula C18H14ClFN6O and a molecular weight of 384.80 g/mol. Its IUPAC name is 2-[[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]amino]ethanol
PubChem CID129237744
Molecular FormulaC18H14ClFN6O
Molecular Weight384.80 g/mol
Exact Mass384.09
IUPAC Name2-[[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]amino]ethanol
SMILESOCCNc1ncc(-c2nc3ccncc3n2-c2ccc(Cl)cc2F)cn1
InChIInChI=1S/C18H14ClFN6O/c19-12-1-2-15(13(20)7-12)26-16-10-21-4-3-14(16)25-17(26)11-8-23-18(24-9-11)22-5-6-27/h1-4,7-10,27H,5-6H2,(H,22,23,24)
InChIKeyQYHOVXAQPOHPIH-UHFFFAOYSA-N
XLogP3.07
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.80
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]amino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]amino]ethanol (CID 129237744) is 2-[[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]amino]ethanol is OCCNc1ncc(-c2nc3ccncc3n2-c2ccc(Cl)cc2F)cn1.
What is the InChIKey of 2-[[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]amino]ethanol?
The InChIKey is QYHOVXAQPOHPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN6O/c19-12-1-2-15(13(20)7-12)26-16-10-21-4-3-14(16)25-17(26)11-8-23-18(24-9-11)22-5-6-27/h1-4,7-10,27H,5-6H2,(H,22,23,24).
What are the key properties of 2-[[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]amino]ethanol?
2-[[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]amino]ethanol has a molecular weight of 384.80 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 129237744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).