1-(1H-indazol-4-yl)-3-[6-(3-phenylpropyl)imidazo[1,2-a]pyridin-2-yl]propan-1-one

C26H24N4O — CID 170391571

IUPAC1-(1H-indazol-4-yl)-3-[6-(3-phenylpropyl)imidazo[1,2-a]pyridin-2-yl]propan-1-one
SMILESO=C(CCc1cn2cc(CCCc3ccccc3)ccc2n1)c1cccc2[nH]ncc12
InChIInChI=1S/C26H24N4O/c31-25(22-10-5-11-24-23(22)16-27-29-24)14-13-21-18-30-17-20(12-15-26(30)28-21)9-4-8-19-6-2-1-3-7-19/h1-3,5-7,10-12,15-18H,4,8-9,13-14H2,(H,27,29)
InChIKeyCBMWREPMNHFYJB-UHFFFAOYSA-N
MW408.51 g/mol
LogP5.20
Rot. Bonds8

About 1-(1H-indazol-4-yl)-3-[6-(3-phenylpropyl)imidazo[1,2-a]pyridin-2-yl]propan-1-one

1-(1H-indazol-4-yl)-3-[6-(3-phenylpropyl)imidazo[1,2-a]pyridin-2-yl]propan-1-one (PubChem CID 170391571) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is 1-(1H-indazol-4-yl)-3-[6-(3-phenylpropyl)imidazo[1,2-a]pyridin-2-yl]propan-1-one.

Molecular Properties

Compound Name1-(1H-indazol-4-yl)-3-[6-(3-phenylpropyl)imidazo[1,2-a]pyridin-2-yl]propan-1-one
PubChem CID170391571
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name1-(1H-indazol-4-yl)-3-[6-(3-phenylpropyl)imidazo[1,2-a]pyridin-2-yl]propan-1-one
SMILESO=C(CCc1cn2cc(CCCc3ccccc3)ccc2n1)c1cccc2[nH]ncc12
InChIInChI=1S/C26H24N4O/c31-25(22-10-5-11-24-23(22)16-27-29-24)14-13-21-18-30-17-20(12-15-26(30)28-21)9-4-8-19-6-2-1-3-7-19/h1-3,5-7,10-12,15-18H,4,8-9,13-14H2,(H,27,29)
InChIKeyCBMWREPMNHFYJB-UHFFFAOYSA-N
XLogP5.20
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-4-yl)-3-[6-(3-phenylpropyl)imidazo[1,2-a]pyridin-2-yl]propan-1-one?
The IUPAC name of 1-(1H-indazol-4-yl)-3-[6-(3-phenylpropyl)imidazo[1,2-a]pyridin-2-yl]propan-1-one (CID 170391571) is 1-(1H-indazol-4-yl)-3-[6-(3-phenylpropyl)imidazo[1,2-a]pyridin-2-yl]propan-1-one.
What is the SMILES notation for 1-(1H-indazol-4-yl)-3-[6-(3-phenylpropyl)imidazo[1,2-a]pyridin-2-yl]propan-1-one?
The canonical SMILES for 1-(1H-indazol-4-yl)-3-[6-(3-phenylpropyl)imidazo[1,2-a]pyridin-2-yl]propan-1-one is O=C(CCc1cn2cc(CCCc3ccccc3)ccc2n1)c1cccc2[nH]ncc12.
What is the InChIKey of 1-(1H-indazol-4-yl)-3-[6-(3-phenylpropyl)imidazo[1,2-a]pyridin-2-yl]propan-1-one?
The InChIKey is CBMWREPMNHFYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c31-25(22-10-5-11-24-23(22)16-27-29-24)14-13-21-18-30-17-20(12-15-26(30)28-21)9-4-8-19-6-2-1-3-7-19/h1-3,5-7,10-12,15-18H,4,8-9,13-14H2,(H,27,29).
What are the key properties of 1-(1H-indazol-4-yl)-3-[6-(3-phenylpropyl)imidazo[1,2-a]pyridin-2-yl]propan-1-one?
1-(1H-indazol-4-yl)-3-[6-(3-phenylpropyl)imidazo[1,2-a]pyridin-2-yl]propan-1-one has a molecular weight of 408.51 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-4-yl)-3-[6-(3-phenylpropyl)imidazo[1,2-a]pyridin-2-yl]propan-1-one is sourced from PubChem (CID 170391571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).