2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetonitrile

C24H15F4N5O — CID 24958725

IUPAC2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetonitrile
SMILESN#CCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2cccnc21
InChIInChI=1S/C24H15F4N5O/c25-17-4-6-18(7-5-17)33-21-8-3-16(12-15(21)13-31-33)23(34,24(26,27)28)20-14-32(11-9-29)22-19(20)2-1-10-30-22/h1-8,10,12-14,34H,11H2
InChIKeyMVPVHJCXTZEZGS-UHFFFAOYSA-N
MW465.41 g/mol
LogP4.84
Rot. Bonds4

About 2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetonitrile

2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetonitrile (PubChem CID 24958725) has the molecular formula C24H15F4N5O and a molecular weight of 465.41 g/mol. Its IUPAC name is 2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetonitrile
PubChem CID24958725
Molecular FormulaC24H15F4N5O
Molecular Weight465.41 g/mol
Exact Mass465.12
IUPAC Name2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetonitrile
SMILESN#CCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2cccnc21
InChIInChI=1S/C24H15F4N5O/c25-17-4-6-18(7-5-17)33-21-8-3-16(12-15(21)13-31-33)23(34,24(26,27)28)20-14-32(11-9-29)22-19(20)2-1-10-30-22/h1-8,10,12-14,34H,11H2
InChIKeyMVPVHJCXTZEZGS-UHFFFAOYSA-N
XLogP4.84
TPSA79.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.41
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetonitrile?
The IUPAC name of 2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetonitrile (CID 24958725) is 2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetonitrile.
What is the SMILES notation for 2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetonitrile?
The canonical SMILES for 2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetonitrile is N#CCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2cccnc21.
What is the InChIKey of 2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetonitrile?
The InChIKey is MVPVHJCXTZEZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F4N5O/c25-17-4-6-18(7-5-17)33-21-8-3-16(12-15(21)13-31-33)23(34,24(26,27)28)20-14-32(11-9-29)22-19(20)2-1-10-30-22/h1-8,10,12-14,34H,11H2.
What are the key properties of 2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetonitrile?
2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetonitrile has a molecular weight of 465.41 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetonitrile is sourced from PubChem (CID 24958725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).