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

C34H35N3O3 — CID 162664377

IUPAC(2R)-1-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)-3-[4-[2-(4-methoxyphenyl)phenyl]piperidin-1-yl]propan-2-ol
SMILESCOc1ccc(-c2ccccc2C2CCN(C[C@@H](O)COc3ccc(-c4cn5ccccc5n4)cc3)CC2)cc1
InChIInChI=1S/C34H35N3O3/c1-39-29-13-9-25(10-14-29)31-6-2-3-7-32(31)26-17-20-36(21-18-26)22-28(38)24-40-30-15-11-27(12-16-30)33-23-37-19-5-4-8-34(37)35-33/h2-16,19,23,26,28,38H,17-18,20-22,24H2,1H3/t28-/m1/s1
InChIKeyFFVPXLHERBCGNG-MUUNZHRXSA-N
MW533.67 g/mol
LogP6.30
Rot. Bonds9

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

(2R)-1-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)-3-[4-[2-(4-methoxyphenyl)phenyl]piperidin-1-yl]propan-2-ol (PubChem CID 162664377) has the molecular formula C34H35N3O3 and a molecular weight of 533.67 g/mol. Its IUPAC name is (2R)-1-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)-3-[4-[2-(4-methoxyphenyl)phenyl]piperidin-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]piperidin-1-yl]propan-2-ol
PubChem CID162664377
Molecular FormulaC34H35N3O3
Molecular Weight533.67 g/mol
Exact Mass533.27
IUPAC Name(2R)-1-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)-3-[4-[2-(4-methoxyphenyl)phenyl]piperidin-1-yl]propan-2-ol
SMILESCOc1ccc(-c2ccccc2C2CCN(C[C@@H](O)COc3ccc(-c4cn5ccccc5n4)cc3)CC2)cc1
InChIInChI=1S/C34H35N3O3/c1-39-29-13-9-25(10-14-29)31-6-2-3-7-32(31)26-17-20-36(21-18-26)22-28(38)24-40-30-15-11-27(12-16-30)33-23-37-19-5-4-8-34(37)35-33/h2-16,19,23,26,28,38H,17-18,20-22,24H2,1H3/t28-/m1/s1
InChIKeyFFVPXLHERBCGNG-MUUNZHRXSA-N
XLogP6.30
TPSA59.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.67
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]piperidin-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]piperidin-1-yl]propan-2-ol (CID 162664377) is (2R)-1-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)-3-[4-[2-(4-methoxyphenyl)phenyl]piperidin-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]piperidin-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]piperidin-1-yl]propan-2-ol is COc1ccc(-c2ccccc2C2CCN(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]piperidin-1-yl]propan-2-ol?
The InChIKey is FFVPXLHERBCGNG-MUUNZHRXSA-N. The full InChI is InChI=1S/C34H35N3O3/c1-39-29-13-9-25(10-14-29)31-6-2-3-7-32(31)26-17-20-36(21-18-26)22-28(38)24-40-30-15-11-27(12-16-30)33-23-37-19-5-4-8-34(37)35-33/h2-16,19,23,26,28,38H,17-18,20-22,24H2,1H3/t28-/m1/s1.
What are the key properties of (2R)-1-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)-3-[4-[2-(4-methoxyphenyl)phenyl]piperidin-1-yl]propan-2-ol?
(2R)-1-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)-3-[4-[2-(4-methoxyphenyl)phenyl]piperidin-1-yl]propan-2-ol has a molecular weight of 533.67 g/mol, XLogP of 6.30, 9 rotatable bonds, 1 hydrogen bond donors, and 6 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]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 162664377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).