2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol

C23H17F3N4O — CID 24959090

IUPAC2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol
SMILESCc1ccc(-n2ncc3cc(C(O)(c4c[nH]c5ncccc45)C(F)(F)F)ccc32)cc1
InChIInChI=1S/C23H17F3N4O/c1-14-4-7-17(8-5-14)30-20-9-6-16(11-15(20)12-29-30)22(31,23(24,25)26)19-13-28-21-18(19)3-2-10-27-21/h2-13,31H,1H3,(H,27,28)
InChIKeyLSDZEVMEIVRSIE-UHFFFAOYSA-N
MW422.41 g/mol
LogP5.01
Rot. Bonds3

About 2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol

2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol (PubChem CID 24959090) has the molecular formula C23H17F3N4O and a molecular weight of 422.41 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol
PubChem CID24959090
Molecular FormulaC23H17F3N4O
Molecular Weight422.41 g/mol
Exact Mass422.14
IUPAC Name2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol
SMILESCc1ccc(-n2ncc3cc(C(O)(c4c[nH]c5ncccc45)C(F)(F)F)ccc32)cc1
InChIInChI=1S/C23H17F3N4O/c1-14-4-7-17(8-5-14)30-20-9-6-16(11-15(20)12-29-30)22(31,23(24,25)26)19-13-28-21-18(19)3-2-10-27-21/h2-13,31H,1H3,(H,27,28)
InChIKeyLSDZEVMEIVRSIE-UHFFFAOYSA-N
XLogP5.01
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.41
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol (CID 24959090) is 2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol is Cc1ccc(-n2ncc3cc(C(O)(c4c[nH]c5ncccc45)C(F)(F)F)ccc32)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol?
The InChIKey is LSDZEVMEIVRSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O/c1-14-4-7-17(8-5-14)30-20-9-6-16(11-15(20)12-29-30)22(31,23(24,25)26)19-13-28-21-18(19)3-2-10-27-21/h2-13,31H,1H3,(H,27,28).
What are the key properties of 2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol?
2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol has a molecular weight of 422.41 g/mol, XLogP of 5.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-(4-methylphenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol is sourced from PubChem (CID 24959090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).