[3,7-diethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol

C25H28N6O — CID 171034260

IUPAC[3,7-diethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol
SMILESCCc1cc2nc(C(O)(c3ccccc3)c3ccccc3)c(CC)n2cc1C1NNNN1
InChIInChI=1S/C25H28N6O/c1-3-17-15-22-26-23(21(4-2)31(22)16-20(17)24-27-29-30-28-24)25(32,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-16,24,27-30,32H,3-4H2,1-2H3
InChIKeyYELVCOMSTKIVQL-UHFFFAOYSA-N
MW428.54 g/mol
LogP2.86
Rot. Bonds6

About [3,7-diethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol

[3,7-diethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol (PubChem CID 171034260) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is [3,7-diethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[3,7-diethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol
PubChem CID171034260
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC Name[3,7-diethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol
SMILESCCc1cc2nc(C(O)(c3ccccc3)c3ccccc3)c(CC)n2cc1C1NNNN1
InChIInChI=1S/C25H28N6O/c1-3-17-15-22-26-23(21(4-2)31(22)16-20(17)24-27-29-30-28-24)25(32,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-16,24,27-30,32H,3-4H2,1-2H3
InChIKeyYELVCOMSTKIVQL-UHFFFAOYSA-N
XLogP2.86
TPSA85.65 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 52.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3,7-diethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol?
The IUPAC name of [3,7-diethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol (CID 171034260) is [3,7-diethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol.
What is the SMILES notation for [3,7-diethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol?
The canonical SMILES for [3,7-diethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol is CCc1cc2nc(C(O)(c3ccccc3)c3ccccc3)c(CC)n2cc1C1NNNN1.
What is the InChIKey of [3,7-diethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol?
The InChIKey is YELVCOMSTKIVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-3-17-15-22-26-23(21(4-2)31(22)16-20(17)24-27-29-30-28-24)25(32,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-16,24,27-30,32H,3-4H2,1-2H3.
What are the key properties of [3,7-diethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol?
[3,7-diethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol has a molecular weight of 428.54 g/mol, XLogP of 2.86, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3,7-diethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol is sourced from PubChem (CID 171034260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).