(4S)-3-imidazo[1,2-a]pyridin-7-yl-4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one

C26H25N5O2 — CID 58229011

IUPAC(4S)-3-imidazo[1,2-a]pyridin-7-yl-4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2ccc(N3CCN(c4ccccc4)CC3)cc2)N1c1ccn2ccnc2c1
InChIInChI=1S/C26H25N5O2/c32-26-31(23-10-12-30-13-11-27-25(30)18-23)24(19-33-26)20-6-8-22(9-7-20)29-16-14-28(15-17-29)21-4-2-1-3-5-21/h1-13,18,24H,14-17,19H2/t24-/m1/s1
InChIKeyILAGUHVQRDPDGJ-XMMPIXPASA-N
MW439.52 g/mol
LogP4.36
Rot. Bonds4

About (4S)-3-imidazo[1,2-a]pyridin-7-yl-4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one

(4S)-3-imidazo[1,2-a]pyridin-7-yl-4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 58229011) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is (4S)-3-imidazo[1,2-a]pyridin-7-yl-4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-imidazo[1,2-a]pyridin-7-yl-4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
PubChem CID58229011
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name(4S)-3-imidazo[1,2-a]pyridin-7-yl-4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2ccc(N3CCN(c4ccccc4)CC3)cc2)N1c1ccn2ccnc2c1
InChIInChI=1S/C26H25N5O2/c32-26-31(23-10-12-30-13-11-27-25(30)18-23)24(19-33-26)20-6-8-22(9-7-20)29-16-14-28(15-17-29)21-4-2-1-3-5-21/h1-13,18,24H,14-17,19H2/t24-/m1/s1
InChIKeyILAGUHVQRDPDGJ-XMMPIXPASA-N
XLogP4.36
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-imidazo[1,2-a]pyridin-7-yl-4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-imidazo[1,2-a]pyridin-7-yl-4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one (CID 58229011) is (4S)-3-imidazo[1,2-a]pyridin-7-yl-4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-imidazo[1,2-a]pyridin-7-yl-4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-imidazo[1,2-a]pyridin-7-yl-4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one is O=C1OC[C@H](c2ccc(N3CCN(c4ccccc4)CC3)cc2)N1c1ccn2ccnc2c1.
What is the InChIKey of (4S)-3-imidazo[1,2-a]pyridin-7-yl-4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is ILAGUHVQRDPDGJ-XMMPIXPASA-N. The full InChI is InChI=1S/C26H25N5O2/c32-26-31(23-10-12-30-13-11-27-25(30)18-23)24(19-33-26)20-6-8-22(9-7-20)29-16-14-28(15-17-29)21-4-2-1-3-5-21/h1-13,18,24H,14-17,19H2/t24-/m1/s1.
What are the key properties of (4S)-3-imidazo[1,2-a]pyridin-7-yl-4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one?
(4S)-3-imidazo[1,2-a]pyridin-7-yl-4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 439.52 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-imidazo[1,2-a]pyridin-7-yl-4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58229011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).