1-[4-(5-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-pyridin-4-yl-1H-pyrazol-5-yl)propan-2-one

C28H26N6O2 — CID 158532596

IUPAC1-[4-(5-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-pyridin-4-yl-1H-pyrazol-5-yl)propan-2-one
SMILESO=C(Cc1ccc(-c2cn3c(N4CCOCC4)cccc3n2)cc1)Cc1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C28H26N6O2/c35-24(17-23-18-25(32-31-23)22-8-10-29-11-9-22)16-20-4-6-21(7-5-20)26-19-34-27(30-26)2-1-3-28(34)33-12-14-36-15-13-33/h1-11,18-19H,12-17H2,(H,31,32)
InChIKeyHNNZSAJQDUIYJS-UHFFFAOYSA-N
MW478.56 g/mol
LogP3.98
Rot. Bonds7

About 1-[4-(5-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-pyridin-4-yl-1H-pyrazol-5-yl)propan-2-one

1-[4-(5-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-pyridin-4-yl-1H-pyrazol-5-yl)propan-2-one (PubChem CID 158532596) has the molecular formula C28H26N6O2 and a molecular weight of 478.56 g/mol. Its IUPAC name is 1-[4-(5-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-pyridin-4-yl-1H-pyrazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-[4-(5-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-pyridin-4-yl-1H-pyrazol-5-yl)propan-2-one
PubChem CID158532596
Molecular FormulaC28H26N6O2
Molecular Weight478.56 g/mol
Exact Mass478.21
IUPAC Name1-[4-(5-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-pyridin-4-yl-1H-pyrazol-5-yl)propan-2-one
SMILESO=C(Cc1ccc(-c2cn3c(N4CCOCC4)cccc3n2)cc1)Cc1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C28H26N6O2/c35-24(17-23-18-25(32-31-23)22-8-10-29-11-9-22)16-20-4-6-21(7-5-20)26-19-34-27(30-26)2-1-3-28(34)33-12-14-36-15-13-33/h1-11,18-19H,12-17H2,(H,31,32)
InChIKeyHNNZSAJQDUIYJS-UHFFFAOYSA-N
XLogP3.98
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-pyridin-4-yl-1H-pyrazol-5-yl)propan-2-one?
The IUPAC name of 1-[4-(5-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-pyridin-4-yl-1H-pyrazol-5-yl)propan-2-one (CID 158532596) is 1-[4-(5-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-pyridin-4-yl-1H-pyrazol-5-yl)propan-2-one.
What is the SMILES notation for 1-[4-(5-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-pyridin-4-yl-1H-pyrazol-5-yl)propan-2-one?
The canonical SMILES for 1-[4-(5-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-pyridin-4-yl-1H-pyrazol-5-yl)propan-2-one is O=C(Cc1ccc(-c2cn3c(N4CCOCC4)cccc3n2)cc1)Cc1cc(-c2ccncc2)n[nH]1.
What is the InChIKey of 1-[4-(5-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-pyridin-4-yl-1H-pyrazol-5-yl)propan-2-one?
The InChIKey is HNNZSAJQDUIYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O2/c35-24(17-23-18-25(32-31-23)22-8-10-29-11-9-22)16-20-4-6-21(7-5-20)26-19-34-27(30-26)2-1-3-28(34)33-12-14-36-15-13-33/h1-11,18-19H,12-17H2,(H,31,32).
What are the key properties of 1-[4-(5-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-pyridin-4-yl-1H-pyrazol-5-yl)propan-2-one?
1-[4-(5-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-pyridin-4-yl-1H-pyrazol-5-yl)propan-2-one has a molecular weight of 478.56 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(3-pyridin-4-yl-1H-pyrazol-5-yl)propan-2-one is sourced from PubChem (CID 158532596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).