1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(5-propan-2-yloxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol

C24H28F4N2O2 — CID 11201812

IUPAC1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(5-propan-2-yloxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol
SMILESCc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(OC(C)C)ncc2[nH]1)C(F)(F)F
InChIInChI=1S/C24H28F4N2O2/c1-14(2)32-21-9-16-8-18(30-20(16)12-29-21)11-23(31,24(26,27)28)13-22(4,5)19-10-17(25)7-6-15(19)3/h6-10,12,14,30-31H,11,13H2,1-5H3
InChIKeyPHUOGFXDMSBGIK-UHFFFAOYSA-N
MW452.49 g/mol
LogP6.00
Rot. Bonds7

About 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(5-propan-2-yloxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol

1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(5-propan-2-yloxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol (PubChem CID 11201812) has the molecular formula C24H28F4N2O2 and a molecular weight of 452.49 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(5-propan-2-yloxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(5-propan-2-yloxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol
PubChem CID11201812
Molecular FormulaC24H28F4N2O2
Molecular Weight452.49 g/mol
Exact Mass452.21
IUPAC Name1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(5-propan-2-yloxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol
SMILESCc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(OC(C)C)ncc2[nH]1)C(F)(F)F
InChIInChI=1S/C24H28F4N2O2/c1-14(2)32-21-9-16-8-18(30-20(16)12-29-21)11-23(31,24(26,27)28)13-22(4,5)19-10-17(25)7-6-15(19)3/h6-10,12,14,30-31H,11,13H2,1-5H3
InChIKeyPHUOGFXDMSBGIK-UHFFFAOYSA-N
XLogP6.00
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.49
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(5-propan-2-yloxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(5-propan-2-yloxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(5-propan-2-yloxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol (CID 11201812) is 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(5-propan-2-yloxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(5-propan-2-yloxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(5-propan-2-yloxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol is Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(OC(C)C)ncc2[nH]1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(5-propan-2-yloxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol?
The InChIKey is PHUOGFXDMSBGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4N2O2/c1-14(2)32-21-9-16-8-18(30-20(16)12-29-21)11-23(31,24(26,27)28)13-22(4,5)19-10-17(25)7-6-15(19)3/h6-10,12,14,30-31H,11,13H2,1-5H3.
What are the key properties of 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(5-propan-2-yloxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol?
1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(5-propan-2-yloxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol has a molecular weight of 452.49 g/mol, XLogP of 6.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(5-propan-2-yloxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-ol is sourced from PubChem (CID 11201812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).