4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine

C21H17ClFN5O — CID 86267763

IUPAC4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine
SMILESFc1cc(Cl)ccc1-n1c(-c2ccc(N3CCOCC3)nc2)nc2ccncc21
InChIInChI=1S/C21H17ClFN5O/c22-15-2-3-18(16(23)11-15)28-19-13-24-6-5-17(19)26-21(28)14-1-4-20(25-12-14)27-7-9-29-10-8-27/h1-6,11-13H,7-10H2
InChIKeyVZEVLUAZSONWNE-UHFFFAOYSA-N
MW409.85 g/mol
LogP4.11
Rot. Bonds3

About 4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine

4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine (PubChem CID 86267763) has the molecular formula C21H17ClFN5O and a molecular weight of 409.85 g/mol. Its IUPAC name is 4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine
PubChem CID86267763
Molecular FormulaC21H17ClFN5O
Molecular Weight409.85 g/mol
Exact Mass409.11
IUPAC Name4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine
SMILESFc1cc(Cl)ccc1-n1c(-c2ccc(N3CCOCC3)nc2)nc2ccncc21
InChIInChI=1S/C21H17ClFN5O/c22-15-2-3-18(16(23)11-15)28-19-13-24-6-5-17(19)26-21(28)14-1-4-20(25-12-14)27-7-9-29-10-8-27/h1-6,11-13H,7-10H2
InChIKeyVZEVLUAZSONWNE-UHFFFAOYSA-N
XLogP4.11
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.85
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-Morpholin-4-Yl-7-Pyridin-3-Yl-6,7-Dihydro-5h-Pyrrolo[2,3-D]pyrimidin-4-Yl)-Pyrimidin-2-Ylamine
CID 24889936
8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(piperidin-1-yl)-9H-purine
CID 25190878
Gsk1331258
CID 46190877
N-(2-chloro-6-methylphenyl)-12-morpholin-4-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 9908658
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,6-naphthyridin-5-amine
CID 24789011
4-(2-(4-Fluorophenyl)-7-{[(2-methoxyethyl)methylamino] methyl}imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamine
CID 24887881
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-[(2R)-2-methylmorpholin-4-yl]-1,6-naphthyridin-5-amine
CID 49840814
2-(2,6-dichlorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 53373594
8-(2-Chlorophenyl)-9-(4-chlorophenyl)-6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]purine
CID 135156445
8-(2-Chlorophenyl)-9-(4-chlorophenyl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]purine
CID 135156469
8-(2-Chlorophenyl)-9-(4-chlorophenyl)-6-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]purine
CID 145987281
4-[[4-(2-Methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine
CID 146315950

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine (CID 86267763) is 4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine is Fc1cc(Cl)ccc1-n1c(-c2ccc(N3CCOCC3)nc2)nc2ccncc21.
What is the InChIKey of 4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine?
The InChIKey is VZEVLUAZSONWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN5O/c22-15-2-3-18(16(23)11-15)28-19-13-24-6-5-17(19)26-21(28)14-1-4-20(25-12-14)27-7-9-29-10-8-27/h1-6,11-13H,7-10H2.
What are the key properties of 4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine?
4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine has a molecular weight of 409.85 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 86267763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).