3-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(5-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-yl]phenol

C24H28F3N3O3 — CID 118723172

IUPAC3-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(5-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-yl]phenol
SMILESCC(C)(CC(O)(Cc1cc2cc(N3CCOCC3)ncc2[nH]1)C(F)(F)F)c1cccc(O)c1
InChIInChI=1S/C24H28F3N3O3/c1-22(2,17-4-3-5-19(31)12-17)15-23(32,24(25,26)27)13-18-10-16-11-21(28-14-20(16)29-18)30-6-8-33-9-7-30/h3-5,10-12,14,29,31-32H,6-9,13,15H2,1-2H3
InChIKeyZDRXNMVEXXVGIO-UHFFFAOYSA-N
MW463.50 g/mol
LogP4.31
Rot. Bonds6

About 3-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(5-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-yl]phenol

3-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(5-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-yl]phenol (PubChem CID 118723172) has the molecular formula C24H28F3N3O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is 3-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(5-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-yl]phenol.

Molecular Properties

Compound Name3-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(5-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-yl]phenol
PubChem CID118723172
Molecular FormulaC24H28F3N3O3
Molecular Weight463.50 g/mol
Exact Mass463.21
IUPAC Name3-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(5-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-yl]phenol
SMILESCC(C)(CC(O)(Cc1cc2cc(N3CCOCC3)ncc2[nH]1)C(F)(F)F)c1cccc(O)c1
InChIInChI=1S/C24H28F3N3O3/c1-22(2,17-4-3-5-19(31)12-17)15-23(32,24(25,26)27)13-18-10-16-11-21(28-14-20(16)29-18)30-6-8-33-9-7-30/h3-5,10-12,14,29,31-32H,6-9,13,15H2,1-2H3
InChIKeyZDRXNMVEXXVGIO-UHFFFAOYSA-N
XLogP4.31
TPSA81.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(5-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-yl]phenol with MolForge

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Related Compounds

CID 11225369
CID 11225369
4-Pyrimidin-5-yl-2-[4,4,4-trifluoro-3-hydroxy-1,1-dimethyl-3-(1h-pyrrolo[2,3-c]pyridin-2-ylmethyl)butyl]phenol
CID 11282486
3-(4-Morpholin-4-yl-7-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol
CID 42632991
3-{7-[1-(4-fluorobenzyl)piperidin-4-yl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl}phenol
CID 42632992
3-[7-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]-pyrimidin-2-yl]phenol
CID 42633175
3-(4-morpholino-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol
CID 42635321
2-(4-((1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-(pyridin-3-yl)phenol
CID 52941608
3-[8-Morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]phenol
CID 56966840
CID 58026176
CID 58026176
CID 60026377
CID 60026377
4-fluoro-2-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)pentan-2-yl]phenol
CID 60026592
1,1,1-trifluoro-4-(3-fluorophenyl)-4-methyl-2-[(5-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol
CID 60026641

Frequently Asked Questions

What is the IUPAC name of 3-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(5-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-yl]phenol?
The IUPAC name of 3-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(5-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-yl]phenol (CID 118723172) is 3-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(5-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-yl]phenol.
What is the SMILES notation for 3-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(5-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-yl]phenol?
The canonical SMILES for 3-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(5-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-yl]phenol is CC(C)(CC(O)(Cc1cc2cc(N3CCOCC3)ncc2[nH]1)C(F)(F)F)c1cccc(O)c1.
What is the InChIKey of 3-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(5-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-yl]phenol?
The InChIKey is ZDRXNMVEXXVGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O3/c1-22(2,17-4-3-5-19(31)12-17)15-23(32,24(25,26)27)13-18-10-16-11-21(28-14-20(16)29-18)30-6-8-33-9-7-30/h3-5,10-12,14,29,31-32H,6-9,13,15H2,1-2H3.
What are the key properties of 3-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(5-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-yl]phenol?
3-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(5-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-yl]phenol has a molecular weight of 463.50 g/mol, XLogP of 4.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(5-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-yl]phenol is sourced from PubChem (CID 118723172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).