[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol

C23H19F2N7O2 — CID 164622430

IUPAC[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol
SMILESCCn1c(C(O)(c2ccccc2F)c2ccccc2F)nc2nc(OC)c(-c3nn[nH]n3)cc21
InChIInChI=1S/C23H19F2N7O2/c1-3-32-18-12-13(19-28-30-31-29-19)21(34-2)26-20(18)27-22(32)23(33,14-8-4-6-10-16(14)24)15-9-5-7-11-17(15)25/h4-12,33H,3H2,1-2H3,(H,28,29,30,31)
InChIKeyNCHZYOGPMBDRPR-UHFFFAOYSA-N
MW463.45 g/mol
LogP3.20
Rot. Bonds6

About [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol

[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol (PubChem CID 164622430) has the molecular formula C23H19F2N7O2 and a molecular weight of 463.45 g/mol. Its IUPAC name is [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol.

Molecular Properties

Compound Name[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol
PubChem CID164622430
Molecular FormulaC23H19F2N7O2
Molecular Weight463.45 g/mol
Exact Mass463.16
IUPAC Name[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol
SMILESCCn1c(C(O)(c2ccccc2F)c2ccccc2F)nc2nc(OC)c(-c3nn[nH]n3)cc21
InChIInChI=1S/C23H19F2N7O2/c1-3-32-18-12-13(19-28-30-31-29-19)21(34-2)26-20(18)27-22(32)23(33,14-8-4-6-10-16(14)24)15-9-5-7-11-17(15)25/h4-12,33H,3H2,1-2H3,(H,28,29,30,31)
InChIKeyNCHZYOGPMBDRPR-UHFFFAOYSA-N
XLogP3.20
TPSA114.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
The IUPAC name of [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol (CID 164622430) is [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol.
What is the SMILES notation for [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
The canonical SMILES for [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol is CCn1c(C(O)(c2ccccc2F)c2ccccc2F)nc2nc(OC)c(-c3nn[nH]n3)cc21.
What is the InChIKey of [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
The InChIKey is NCHZYOGPMBDRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N7O2/c1-3-32-18-12-13(19-28-30-31-29-19)21(34-2)26-20(18)27-22(32)23(33,14-8-4-6-10-16(14)24)15-9-5-7-11-17(15)25/h4-12,33H,3H2,1-2H3,(H,28,29,30,31).
What are the key properties of [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol has a molecular weight of 463.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol is sourced from PubChem (CID 164622430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).