4-[6-(imidazo[1,2-a]pyridin-7-ylmethyl)-2-[(5-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]morpholine

C23H24N6O2 — CID 157172536

IUPAC4-[6-(imidazo[1,2-a]pyridin-7-ylmethyl)-2-[(5-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]morpholine
SMILESCOc1cncc(Cc2nc(Cc3ccn4ccnc4c3)cc(N3CCOCC3)n2)c1
InChIInChI=1S/C23H24N6O2/c1-30-20-11-18(15-24-16-20)12-21-26-19(14-23(27-21)29-6-8-31-9-7-29)10-17-2-4-28-5-3-25-22(28)13-17/h2-5,11,13-16H,6-10,12H2,1H3
InChIKeyANQHEVRXIIFJHB-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.55
Rot. Bonds6

About 4-[6-(imidazo[1,2-a]pyridin-7-ylmethyl)-2-[(5-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]morpholine

4-[6-(imidazo[1,2-a]pyridin-7-ylmethyl)-2-[(5-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]morpholine (PubChem CID 157172536) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 4-[6-(imidazo[1,2-a]pyridin-7-ylmethyl)-2-[(5-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(imidazo[1,2-a]pyridin-7-ylmethyl)-2-[(5-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]morpholine
PubChem CID157172536
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name4-[6-(imidazo[1,2-a]pyridin-7-ylmethyl)-2-[(5-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]morpholine
SMILESCOc1cncc(Cc2nc(Cc3ccn4ccnc4c3)cc(N3CCOCC3)n2)c1
InChIInChI=1S/C23H24N6O2/c1-30-20-11-18(15-24-16-20)12-21-26-19(14-23(27-21)29-6-8-31-9-7-29)10-17-2-4-28-5-3-25-22(28)13-17/h2-5,11,13-16H,6-10,12H2,1H3
InChIKeyANQHEVRXIIFJHB-UHFFFAOYSA-N
XLogP2.55
TPSA77.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[6-(imidazo[1,2-a]pyridin-7-ylmethyl)-2-[(5-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]morpholine with MolForge

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AZ191
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Frequently Asked Questions

What is the IUPAC name of 4-[6-(imidazo[1,2-a]pyridin-7-ylmethyl)-2-[(5-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(imidazo[1,2-a]pyridin-7-ylmethyl)-2-[(5-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]morpholine (CID 157172536) is 4-[6-(imidazo[1,2-a]pyridin-7-ylmethyl)-2-[(5-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(imidazo[1,2-a]pyridin-7-ylmethyl)-2-[(5-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(imidazo[1,2-a]pyridin-7-ylmethyl)-2-[(5-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]morpholine is COc1cncc(Cc2nc(Cc3ccn4ccnc4c3)cc(N3CCOCC3)n2)c1.
What is the InChIKey of 4-[6-(imidazo[1,2-a]pyridin-7-ylmethyl)-2-[(5-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]morpholine?
The InChIKey is ANQHEVRXIIFJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-30-20-11-18(15-24-16-20)12-21-26-19(14-23(27-21)29-6-8-31-9-7-29)10-17-2-4-28-5-3-25-22(28)13-17/h2-5,11,13-16H,6-10,12H2,1H3.
What are the key properties of 4-[6-(imidazo[1,2-a]pyridin-7-ylmethyl)-2-[(5-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]morpholine?
4-[6-(imidazo[1,2-a]pyridin-7-ylmethyl)-2-[(5-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]morpholine has a molecular weight of 416.49 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(imidazo[1,2-a]pyridin-7-ylmethyl)-2-[(5-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 157172536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).