1,1,1-trifluoro-4-methyl-2-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pentan-2-ol

C14H17F3N2O — CID 68753185

IUPAC1,1,1-trifluoro-4-methyl-2-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pentan-2-ol
SMILESCC(C)CC(O)(Cc1cc2cnccc2[nH]1)C(F)(F)F
InChIInChI=1S/C14H17F3N2O/c1-9(2)6-13(20,14(15,16)17)7-11-5-10-8-18-4-3-12(10)19-11/h3-5,8-9,19-20H,6-7H2,1-2H3
InChIKeyJRNPOMGNHLTZCN-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.44
Rot. Bonds4

About 1,1,1-trifluoro-4-methyl-2-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pentan-2-ol

1,1,1-trifluoro-4-methyl-2-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pentan-2-ol (PubChem CID 68753185) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methyl-2-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methyl-2-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pentan-2-ol
PubChem CID68753185
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name1,1,1-trifluoro-4-methyl-2-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pentan-2-ol
SMILESCC(C)CC(O)(Cc1cc2cnccc2[nH]1)C(F)(F)F
InChIInChI=1S/C14H17F3N2O/c1-9(2)6-13(20,14(15,16)17)7-11-5-10-8-18-4-3-12(10)19-11/h3-5,8-9,19-20H,6-7H2,1-2H3
InChIKeyJRNPOMGNHLTZCN-UHFFFAOYSA-N
XLogP3.44
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-4-methyl-2-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pentan-2-ol with MolForge

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Related Compounds

(3S)-5-(5-fluoro-2-methylphenyl)-2,2,5-trimethyl-3-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)hexan-3-ol
CID 90654508
(5E,7E)-7-chloro-5-ethenyl-1,1,1-trifluoro-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)nona-5,7-dien-2-ol
CID 143024743
1,1,1-trifluoro-4-(2-fluorophenyl)-2-(1H-indol-2-ylmethyl)pentan-2-ol
CID 143024591
4-fluoro-2-[(4R)-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pentan-2-yl]phenol
CID 46937290
2-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol
CID 154454234
4-(5-bromo-2-methoxyphenyl)-1,1,1-trifluoro-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pentan-2-ol
CID 46939018
1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methyl-4-pyridin-2-ylpentan-2-ol
CID 10237128
1,1,1-trifluoro-4-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)-2-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pentan-2-ol
CID 11177563
1,1,1-trifluoro-4-(4-fluoro-2-methoxyphenyl)-4-methyl-2-[[methyl(1H-pyrrolo[3,2-c]pyridin-2-yl)amino]methyl]pentan-2-ol
CID 67215803
1,1,1-trifluoro-4-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)-2-(1H-pyrrolo[3,2-c]pyridin-2-ylmethylamino)pentan-2-ol
CID 67215975
2-[2,4-dimethyl-4-(3-methylphenyl)-2-(trifluoromethyl)pentyl]-1H-pyrrolo[2,3-c]pyridine
CID 154659438
5-(5-fluoro-2-methoxyphenyl)-2,5-dimethyl-3-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)hexan-3-ol
CID 11646689

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-methyl-2-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-methyl-2-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pentan-2-ol (CID 68753185) is 1,1,1-trifluoro-4-methyl-2-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-methyl-2-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-methyl-2-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pentan-2-ol is CC(C)CC(O)(Cc1cc2cnccc2[nH]1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methyl-2-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pentan-2-ol?
The InChIKey is JRNPOMGNHLTZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-9(2)6-13(20,14(15,16)17)7-11-5-10-8-18-4-3-12(10)19-11/h3-5,8-9,19-20H,6-7H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-4-methyl-2-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pentan-2-ol?
1,1,1-trifluoro-4-methyl-2-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pentan-2-ol has a molecular weight of 286.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methyl-2-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pentan-2-ol is sourced from PubChem (CID 68753185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).