(2R)-1-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)-3-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]propan-2-ol

C33H34N4O3 — CID 162674732

IUPAC(2R)-1-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)-3-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]propan-2-ol
SMILESCOc1ccc(-c2ccccc2N2CCN(C[C@@H](O)COc3ccc(-c4cn5ccccc5n4)cc3)CC2)cc1
InChIInChI=1S/C33H34N4O3/c1-39-28-13-9-25(10-14-28)30-6-2-3-7-32(30)36-20-18-35(19-21-36)22-27(38)24-40-29-15-11-26(12-16-29)31-23-37-17-5-4-8-33(37)34-31/h2-17,23,27,38H,18-22,24H2,1H3/t27-/m1/s1
InChIKeyUMIUFZIZERXHBB-HHHXNRCGSA-N
MW534.66 g/mol
LogP5.24
Rot. Bonds9

About (2R)-1-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)-3-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]propan-2-ol

(2R)-1-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)-3-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]propan-2-ol (PubChem CID 162674732) has the molecular formula C33H34N4O3 and a molecular weight of 534.66 g/mol. Its IUPAC name is (2R)-1-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)-3-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)-3-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]propan-2-ol
PubChem CID162674732
Molecular FormulaC33H34N4O3
Molecular Weight534.66 g/mol
Exact Mass534.26
IUPAC Name(2R)-1-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)-3-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]propan-2-ol
SMILESCOc1ccc(-c2ccccc2N2CCN(C[C@@H](O)COc3ccc(-c4cn5ccccc5n4)cc3)CC2)cc1
InChIInChI=1S/C33H34N4O3/c1-39-28-13-9-25(10-14-28)30-6-2-3-7-32(30)36-20-18-35(19-21-36)22-27(38)24-40-29-15-11-26(12-16-29)31-23-37-17-5-4-8-33(37)34-31/h2-17,23,27,38H,18-22,24H2,1H3/t27-/m1/s1
InChIKeyUMIUFZIZERXHBB-HHHXNRCGSA-N
XLogP5.24
TPSA62.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)-3-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)-3-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]propan-2-ol (CID 162674732) is (2R)-1-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)-3-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)-3-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)-3-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]propan-2-ol is COc1ccc(-c2ccccc2N2CCN(C[C@@H](O)COc3ccc(-c4cn5ccccc5n4)cc3)CC2)cc1.
What is the InChIKey of (2R)-1-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)-3-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]propan-2-ol?
The InChIKey is UMIUFZIZERXHBB-HHHXNRCGSA-N. The full InChI is InChI=1S/C33H34N4O3/c1-39-28-13-9-25(10-14-28)30-6-2-3-7-32(30)36-20-18-35(19-21-36)22-27(38)24-40-29-15-11-26(12-16-29)31-23-37-17-5-4-8-33(37)34-31/h2-17,23,27,38H,18-22,24H2,1H3/t27-/m1/s1.
What are the key properties of (2R)-1-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)-3-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]propan-2-ol?
(2R)-1-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)-3-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]propan-2-ol has a molecular weight of 534.66 g/mol, XLogP of 5.24, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)-3-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 162674732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).