(1R,3R,4R)-4-[1-[6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2-methylpropan-2-yl]-2,2-dimethylcyclopentane-1,3-diol

C26H29FN4O3 — CID 141261022

IUPAC(1R,3R,4R)-4-[1-[6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2-methylpropan-2-yl]-2,2-dimethylcyclopentane-1,3-diol
SMILESCC(C)(COc1cc(F)cc2ccc(-c3nnc4ccccn34)nc12)[C@H]1C[C@@H](O)C(C)(C)[C@@H]1O
InChIInChI=1S/C26H29FN4O3/c1-25(2,17-13-20(32)26(3,4)23(17)33)14-34-19-12-16(27)11-15-8-9-18(28-22(15)19)24-30-29-21-7-5-6-10-31(21)24/h5-12,17,20,23,32-33H,13-14H2,1-4H3/t17-,20+,23+/m0/s1
InChIKeySOLFGIMUGQUULC-XTQVGHSUSA-N
MW464.54 g/mol
LogP4.26
Rot. Bonds5

About (1R,3R,4R)-4-[1-[6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2-methylpropan-2-yl]-2,2-dimethylcyclopentane-1,3-diol

(1R,3R,4R)-4-[1-[6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2-methylpropan-2-yl]-2,2-dimethylcyclopentane-1,3-diol (PubChem CID 141261022) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is (1R,3R,4R)-4-[1-[6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2-methylpropan-2-yl]-2,2-dimethylcyclopentane-1,3-diol.

Molecular Properties

Compound Name(1R,3R,4R)-4-[1-[6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2-methylpropan-2-yl]-2,2-dimethylcyclopentane-1,3-diol
PubChem CID141261022
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC Name(1R,3R,4R)-4-[1-[6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2-methylpropan-2-yl]-2,2-dimethylcyclopentane-1,3-diol
SMILESCC(C)(COc1cc(F)cc2ccc(-c3nnc4ccccn34)nc12)[C@H]1C[C@@H](O)C(C)(C)[C@@H]1O
InChIInChI=1S/C26H29FN4O3/c1-25(2,17-13-20(32)26(3,4)23(17)33)14-34-19-12-16(27)11-15-8-9-18(28-22(15)19)24-30-29-21-7-5-6-10-31(21)24/h5-12,17,20,23,32-33H,13-14H2,1-4H3/t17-,20+,23+/m0/s1
InChIKeySOLFGIMUGQUULC-XTQVGHSUSA-N
XLogP4.26
TPSA92.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1R,3R,4R)-4-[1-[6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2-methylpropan-2-yl]-2,2-dimethylcyclopentane-1,3-diol with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[[6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxymethyl]-4-methoxyazepan-1-yl]ethanol
CID 58303661
8-(cyclopentylmethoxy)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
CID 58303665
7-ethoxy-6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
CID 141434528
8-[(3-fluoroazetidin-3-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride
CID 67233383
[(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypentyl]carbamic acid
CID 67230169
4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid
CID 67234704
4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-2-carboxylic acid
CID 67231057
(2S)-2-ethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxyhexan-1-amine
CID 58303770
2-[2-[6-[(1R)-1-[(3S)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-6-fluoroquinolin-8-yl]oxyethanol
CID 71004839
8-[(4S,5S)-5-fluoroazepan-4-yl]oxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
CID 67230102
8-[(4-methoxyazepan-4-yl)methoxy]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline;dihydrochloride
CID 67234468
tert-butyl (2S,4S)-2-[methoxy(methyl)carbamoyl]-4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylate
CID 86654359

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4R)-4-[1-[6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2-methylpropan-2-yl]-2,2-dimethylcyclopentane-1,3-diol?
The IUPAC name of (1R,3R,4R)-4-[1-[6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2-methylpropan-2-yl]-2,2-dimethylcyclopentane-1,3-diol (CID 141261022) is (1R,3R,4R)-4-[1-[6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2-methylpropan-2-yl]-2,2-dimethylcyclopentane-1,3-diol.
What is the SMILES notation for (1R,3R,4R)-4-[1-[6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2-methylpropan-2-yl]-2,2-dimethylcyclopentane-1,3-diol?
The canonical SMILES for (1R,3R,4R)-4-[1-[6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2-methylpropan-2-yl]-2,2-dimethylcyclopentane-1,3-diol is CC(C)(COc1cc(F)cc2ccc(-c3nnc4ccccn34)nc12)[C@H]1C[C@@H](O)C(C)(C)[C@@H]1O.
What is the InChIKey of (1R,3R,4R)-4-[1-[6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2-methylpropan-2-yl]-2,2-dimethylcyclopentane-1,3-diol?
The InChIKey is SOLFGIMUGQUULC-XTQVGHSUSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-25(2,17-13-20(32)26(3,4)23(17)33)14-34-19-12-16(27)11-15-8-9-18(28-22(15)19)24-30-29-21-7-5-6-10-31(21)24/h5-12,17,20,23,32-33H,13-14H2,1-4H3/t17-,20+,23+/m0/s1.
What are the key properties of (1R,3R,4R)-4-[1-[6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2-methylpropan-2-yl]-2,2-dimethylcyclopentane-1,3-diol?
(1R,3R,4R)-4-[1-[6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2-methylpropan-2-yl]-2,2-dimethylcyclopentane-1,3-diol has a molecular weight of 464.54 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4R)-4-[1-[6-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxy-2-methylpropan-2-yl]-2,2-dimethylcyclopentane-1,3-diol is sourced from PubChem (CID 141261022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).