6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine

C27H20N6O — CID 22032509

IUPAC6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2ccc(-c3[nH]ncc3-c3ccc4ncc(-c5ccccn5)n4c3)cc2)cn1
InChIInChI=1S/C27H20N6O/c1-34-26-12-10-20(14-30-26)18-5-7-19(8-6-18)27-22(15-31-32-27)21-9-11-25-29-16-24(33(25)17-21)23-4-2-3-13-28-23/h2-17H,1H3,(H,31,32)
InChIKeyKDPKJTHTNLMZJF-UHFFFAOYSA-N
MW444.50 g/mol
LogP5.52
Rot. Bonds5

About 6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine

6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine (PubChem CID 22032509) has the molecular formula C27H20N6O and a molecular weight of 444.50 g/mol. Its IUPAC name is 6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine
PubChem CID22032509
Molecular FormulaC27H20N6O
Molecular Weight444.50 g/mol
Exact Mass444.17
IUPAC Name6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2ccc(-c3[nH]ncc3-c3ccc4ncc(-c5ccccn5)n4c3)cc2)cn1
InChIInChI=1S/C27H20N6O/c1-34-26-12-10-20(14-30-26)18-5-7-19(8-6-18)27-22(15-31-32-27)21-9-11-25-29-16-24(33(25)17-21)23-4-2-3-13-28-23/h2-17H,1H3,(H,31,32)
InChIKeyKDPKJTHTNLMZJF-UHFFFAOYSA-N
XLogP5.52
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.50
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine?
The IUPAC name of 6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine (CID 22032509) is 6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine is COc1ccc(-c2ccc(-c3[nH]ncc3-c3ccc4ncc(-c5ccccn5)n4c3)cc2)cn1.
What is the InChIKey of 6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine?
The InChIKey is KDPKJTHTNLMZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N6O/c1-34-26-12-10-20(14-30-26)18-5-7-19(8-6-18)27-22(15-31-32-27)21-9-11-25-29-16-24(33(25)17-21)23-4-2-3-13-28-23/h2-17H,1H3,(H,31,32).
What are the key properties of 6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine?
6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine has a molecular weight of 444.50 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 22032509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).