[7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol

C23H21ClF2N6O — CID 171034264

IUPAC[7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol
SMILESCCc1c(C(O)(c2ccccc2F)c2ccccc2F)nc2cc(Cl)c(C3NNNN3)cn12
InChIInChI=1S/C23H21ClF2N6O/c1-2-19-21(27-20-11-16(24)13(12-32(19)20)22-28-30-31-29-22)23(33,14-7-3-5-9-17(14)25)15-8-4-6-10-18(15)26/h3-12,22,28-31,33H,2H2,1H3
InChIKeyQTAHEEBDDVDDCM-UHFFFAOYSA-N
MW470.91 g/mol
LogP3.23
Rot. Bonds5

About [7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol

[7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol (PubChem CID 171034264) has the molecular formula C23H21ClF2N6O and a molecular weight of 470.91 g/mol. Its IUPAC name is [7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol.

Molecular Properties

Compound Name[7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol
PubChem CID171034264
Molecular FormulaC23H21ClF2N6O
Molecular Weight470.91 g/mol
Exact Mass470.14
IUPAC Name[7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol
SMILESCCc1c(C(O)(c2ccccc2F)c2ccccc2F)nc2cc(Cl)c(C3NNNN3)cn12
InChIInChI=1S/C23H21ClF2N6O/c1-2-19-21(27-20-11-16(24)13(12-32(19)20)22-28-30-31-29-22)23(33,14-7-3-5-9-17(14)25)15-8-4-6-10-18(15)26/h3-12,22,28-31,33H,2H2,1H3
InChIKeyQTAHEEBDDVDDCM-UHFFFAOYSA-N
XLogP3.23
TPSA85.65 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.91
LogP ≤ 53.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
The IUPAC name of [7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol (CID 171034264) is [7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol.
What is the SMILES notation for [7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
The canonical SMILES for [7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol is CCc1c(C(O)(c2ccccc2F)c2ccccc2F)nc2cc(Cl)c(C3NNNN3)cn12.
What is the InChIKey of [7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
The InChIKey is QTAHEEBDDVDDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF2N6O/c1-2-19-21(27-20-11-16(24)13(12-32(19)20)22-28-30-31-29-22)23(33,14-7-3-5-9-17(14)25)15-8-4-6-10-18(15)26/h3-12,22,28-31,33H,2H2,1H3.
What are the key properties of [7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
[7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol has a molecular weight of 470.91 g/mol, XLogP of 3.23, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol is sourced from PubChem (CID 171034264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).