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

C41H36ClFN12O2 — CID 118576897

IUPAC4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine;4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine
SMILESCc1ccc(-n2c(-c3cnc(N4CCOCC4)nc3)nc3ccncc32)nc1.Fc1cc(Cl)ccc1-n1c(-c2ccc(N3CCOCC3)nc2)nc2ccncc21
InChIInChI=1S/C21H17ClFN5O.C20H19N7O/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;1-14-2-3-18(22-10-14)27-17-13-21-5-4-16(17)25-19(27)15-11-23-20(24-12-15)26-6-8-28-9-7-26/h1-6,11-13H,7-10H2;2-5,10-13H,6-9H2,1H3
InChIKeyJSAMWZXGYVSXLZ-UHFFFAOYSA-N
MW783.27 g/mol
LogP6.53
Rot. Bonds6

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

4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine;4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine (PubChem CID 118576897) has the molecular formula C41H36ClFN12O2 and a molecular weight of 783.27 g/mol. Its IUPAC name is 4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine;4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine;4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine
PubChem CID118576897
Molecular FormulaC41H36ClFN12O2
Molecular Weight783.27 g/mol
Exact Mass782.28
IUPAC Name4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine;4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine
SMILESCc1ccc(-n2c(-c3cnc(N4CCOCC4)nc3)nc3ccncc32)nc1.Fc1cc(Cl)ccc1-n1c(-c2ccc(N3CCOCC3)nc2)nc2ccncc21
InChIInChI=1S/C21H17ClFN5O.C20H19N7O/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;1-14-2-3-18(22-10-14)27-17-13-21-5-4-16(17)25-19(27)15-11-23-20(24-12-15)26-6-8-28-9-7-26/h1-6,11-13H,7-10H2;2-5,10-13H,6-9H2,1H3
InChIKeyJSAMWZXGYVSXLZ-UHFFFAOYSA-N
XLogP6.53
TPSA137.92 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500783.27
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine;4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine with MolForge

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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;4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine;4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine (CID 118576897) is 4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine;4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine;4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine;4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine is Cc1ccc(-n2c(-c3cnc(N4CCOCC4)nc3)nc3ccncc32)nc1.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;4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine?
The InChIKey is JSAMWZXGYVSXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN5O.C20H19N7O/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;1-14-2-3-18(22-10-14)27-17-13-21-5-4-16(17)25-19(27)15-11-23-20(24-12-15)26-6-8-28-9-7-26/h1-6,11-13H,7-10H2;2-5,10-13H,6-9H2,1H3.
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-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine?
4-[5-[3-(4-chloro-2-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine;4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine has a molecular weight of 783.27 g/mol, XLogP of 6.53, 6 rotatable bonds, 0 hydrogen bond donors, and 14 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;4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 118576897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).