4-[3-[3-phenyl-2-(1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine

C25H22N6O — CID 71138371

IUPAC4-[3-[3-phenyl-2-(1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine
SMILESc1ccc(-n2c(-c3ccn[nH]3)nc3ccc(-c4cccc(N5CCOCC5)c4)nc32)cc1
InChIInChI=1S/C25H22N6O/c1-2-6-19(7-3-1)31-24-22(28-25(31)23-11-12-26-29-23)10-9-21(27-24)18-5-4-8-20(17-18)30-13-15-32-16-14-30/h1-12,17H,13-16H2,(H,26,29)
InChIKeyGEAZJVKTRFRNOX-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.31
Rot. Bonds4

About 4-[3-[3-phenyl-2-(1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine

4-[3-[3-phenyl-2-(1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine (PubChem CID 71138371) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is 4-[3-[3-phenyl-2-(1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[3-[3-phenyl-2-(1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine
PubChem CID71138371
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC Name4-[3-[3-phenyl-2-(1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine
SMILESc1ccc(-n2c(-c3ccn[nH]3)nc3ccc(-c4cccc(N5CCOCC5)c4)nc32)cc1
InChIInChI=1S/C25H22N6O/c1-2-6-19(7-3-1)31-24-22(28-25(31)23-11-12-26-29-23)10-9-21(27-24)18-5-4-8-20(17-18)30-13-15-32-16-14-30/h1-12,17H,13-16H2,(H,26,29)
InChIKeyGEAZJVKTRFRNOX-UHFFFAOYSA-N
XLogP4.31
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-phenyl-2-(1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine?
The IUPAC name of 4-[3-[3-phenyl-2-(1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine (CID 71138371) is 4-[3-[3-phenyl-2-(1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine.
What is the SMILES notation for 4-[3-[3-phenyl-2-(1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine?
The canonical SMILES for 4-[3-[3-phenyl-2-(1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine is c1ccc(-n2c(-c3ccn[nH]3)nc3ccc(-c4cccc(N5CCOCC5)c4)nc32)cc1.
What is the InChIKey of 4-[3-[3-phenyl-2-(1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine?
The InChIKey is GEAZJVKTRFRNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c1-2-6-19(7-3-1)31-24-22(28-25(31)23-11-12-26-29-23)10-9-21(27-24)18-5-4-8-20(17-18)30-13-15-32-16-14-30/h1-12,17H,13-16H2,(H,26,29).
What are the key properties of 4-[3-[3-phenyl-2-(1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine?
4-[3-[3-phenyl-2-(1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine has a molecular weight of 422.49 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-phenyl-2-(1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine is sourced from PubChem (CID 71138371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).