1-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]ethane-1,2-diol

C26H26N6O3S — CID 58095116

IUPAC1-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]ethane-1,2-diol
SMILESCc1nc2ccc(C(O)CO)cn2c1-c1nc(-c2ccccc2)c(-c2ncn(C3CCCCO3)n2)s1
InChIInChI=1S/C26H26N6O3S/c1-16-23(31-13-18(19(34)14-33)10-11-20(31)28-16)26-29-22(17-7-3-2-4-8-17)24(36-26)25-27-15-32(30-25)21-9-5-6-12-35-21/h2-4,7-8,10-11,13,15,19,21,33-34H,5-6,9,12,14H2,1H3
InChIKeyDBWYBBWJRNZMKJ-UHFFFAOYSA-N
MW502.60 g/mol
LogP4.42
Rot. Bonds6

About 1-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]ethane-1,2-diol

1-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]ethane-1,2-diol (PubChem CID 58095116) has the molecular formula C26H26N6O3S and a molecular weight of 502.60 g/mol. Its IUPAC name is 1-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]ethane-1,2-diol
PubChem CID58095116
Molecular FormulaC26H26N6O3S
Molecular Weight502.60 g/mol
Exact Mass502.18
IUPAC Name1-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]ethane-1,2-diol
SMILESCc1nc2ccc(C(O)CO)cn2c1-c1nc(-c2ccccc2)c(-c2ncn(C3CCCCO3)n2)s1
InChIInChI=1S/C26H26N6O3S/c1-16-23(31-13-18(19(34)14-33)10-11-20(31)28-16)26-29-22(17-7-3-2-4-8-17)24(36-26)25-27-15-32(30-25)21-9-5-6-12-35-21/h2-4,7-8,10-11,13,15,19,21,33-34H,5-6,9,12,14H2,1H3
InChIKeyDBWYBBWJRNZMKJ-UHFFFAOYSA-N
XLogP4.42
TPSA110.59 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.60
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]ethane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]ethane-1,2-diol?
The IUPAC name of 1-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]ethane-1,2-diol (CID 58095116) is 1-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]ethane-1,2-diol?
The canonical SMILES for 1-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]ethane-1,2-diol is Cc1nc2ccc(C(O)CO)cn2c1-c1nc(-c2ccccc2)c(-c2ncn(C3CCCCO3)n2)s1.
What is the InChIKey of 1-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]ethane-1,2-diol?
The InChIKey is DBWYBBWJRNZMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3S/c1-16-23(31-13-18(19(34)14-33)10-11-20(31)28-16)26-29-22(17-7-3-2-4-8-17)24(36-26)25-27-15-32(30-25)21-9-5-6-12-35-21/h2-4,7-8,10-11,13,15,19,21,33-34H,5-6,9,12,14H2,1H3.
What are the key properties of 1-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]ethane-1,2-diol?
1-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]ethane-1,2-diol has a molecular weight of 502.60 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]ethane-1,2-diol is sourced from PubChem (CID 58095116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).