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

C23H21ClF2N6O — CID 171034273

IUPAC[6-chloro-3-ethyl-5-(tetrazolidin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol
SMILESCCc1c(C(O)(c2ccccc2F)c2ccccc2F)nn2cc(Cl)c(C3NNNN3)cc12
InChIInChI=1S/C23H21ClF2N6O/c1-2-13-20-11-14(22-27-30-31-28-22)17(24)12-32(20)29-21(13)23(33,15-7-3-5-9-18(15)25)16-8-4-6-10-19(16)26/h3-12,22,27-28,30-31,33H,2H2,1H3
InChIKeyYRWAOSYUSDDGIK-UHFFFAOYSA-N
MW470.91 g/mol
LogP3.23
Rot. Bonds5

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

[6-chloro-3-ethyl-5-(tetrazolidin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol (PubChem CID 171034273) has the molecular formula C23H21ClF2N6O and a molecular weight of 470.91 g/mol. Its IUPAC name is [6-chloro-3-ethyl-5-(tetrazolidin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol.

Molecular Properties

Compound Name[6-chloro-3-ethyl-5-(tetrazolidin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol
PubChem CID171034273
Molecular FormulaC23H21ClF2N6O
Molecular Weight470.91 g/mol
Exact Mass470.14
IUPAC Name[6-chloro-3-ethyl-5-(tetrazolidin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol
SMILESCCc1c(C(O)(c2ccccc2F)c2ccccc2F)nn2cc(Cl)c(C3NNNN3)cc12
InChIInChI=1S/C23H21ClF2N6O/c1-2-13-20-11-14(22-27-30-31-28-22)17(24)12-32(20)29-21(13)23(33,15-7-3-5-9-18(15)25)16-8-4-6-10-19(16)26/h3-12,22,27-28,30-31,33H,2H2,1H3
InChIKeyYRWAOSYUSDDGIK-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 [6-chloro-3-ethyl-5-(tetrazolidin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
The IUPAC name of [6-chloro-3-ethyl-5-(tetrazolidin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol (CID 171034273) is [6-chloro-3-ethyl-5-(tetrazolidin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol.
What is the SMILES notation for [6-chloro-3-ethyl-5-(tetrazolidin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
The canonical SMILES for [6-chloro-3-ethyl-5-(tetrazolidin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol is CCc1c(C(O)(c2ccccc2F)c2ccccc2F)nn2cc(Cl)c(C3NNNN3)cc12.
What is the InChIKey of [6-chloro-3-ethyl-5-(tetrazolidin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
The InChIKey is YRWAOSYUSDDGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF2N6O/c1-2-13-20-11-14(22-27-30-31-28-22)17(24)12-32(20)29-21(13)23(33,15-7-3-5-9-18(15)25)16-8-4-6-10-19(16)26/h3-12,22,27-28,30-31,33H,2H2,1H3.
What are the key properties of [6-chloro-3-ethyl-5-(tetrazolidin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
[6-chloro-3-ethyl-5-(tetrazolidin-5-yl)pyrazolo[1,5-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 [6-chloro-3-ethyl-5-(tetrazolidin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-bis(2-fluorophenyl)methanol is sourced from PubChem (CID 171034273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).