cyclopropyl-[5-[(1R)-1-[3-[3-fluoro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-1,2-thiazol-5-yl]ethoxy]-2-pyridinyl]methanone

C26H26FN3O4S — CID 118508295

IUPACcyclopropyl-[5-[(1R)-1-[3-[3-fluoro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-1,2-thiazol-5-yl]ethoxy]-2-pyridinyl]methanone
SMILESC[C@@H](Oc1ccc(C(=O)C2CC2)nc1)c1cc(-c2ccc(C(=O)N3CCC(O)CC3)c(F)c2)ns1
InChIInChI=1S/C26H26FN3O4S/c1-15(34-19-5-7-22(28-14-19)25(32)16-2-3-16)24-13-23(29-35-24)17-4-6-20(21(27)12-17)26(33)30-10-8-18(31)9-11-30/h4-7,12-16,18,31H,2-3,8-11H2,1H3/t15-/m1/s1
InChIKeyBMRBZVNKRPQSAM-OAHLLOKOSA-N
MW495.58 g/mol
LogP4.67
Rot. Bonds7

About cyclopropyl-[5-[(1R)-1-[3-[3-fluoro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-1,2-thiazol-5-yl]ethoxy]-2-pyridinyl]methanone

cyclopropyl-[5-[(1R)-1-[3-[3-fluoro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-1,2-thiazol-5-yl]ethoxy]-2-pyridinyl]methanone (PubChem CID 118508295) has the molecular formula C26H26FN3O4S and a molecular weight of 495.58 g/mol. Its IUPAC name is cyclopropyl-[5-[(1R)-1-[3-[3-fluoro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-1,2-thiazol-5-yl]ethoxy]-2-pyridinyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[5-[(1R)-1-[3-[3-fluoro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-1,2-thiazol-5-yl]ethoxy]-2-pyridinyl]methanone
PubChem CID118508295
Molecular FormulaC26H26FN3O4S
Molecular Weight495.58 g/mol
Exact Mass495.16
IUPAC Namecyclopropyl-[5-[(1R)-1-[3-[3-fluoro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-1,2-thiazol-5-yl]ethoxy]-2-pyridinyl]methanone
SMILESC[C@@H](Oc1ccc(C(=O)C2CC2)nc1)c1cc(-c2ccc(C(=O)N3CCC(O)CC3)c(F)c2)ns1
InChIInChI=1S/C26H26FN3O4S/c1-15(34-19-5-7-22(28-14-19)25(32)16-2-3-16)24-13-23(29-35-24)17-4-6-20(21(27)12-17)26(33)30-10-8-18(31)9-11-30/h4-7,12-16,18,31H,2-3,8-11H2,1H3/t15-/m1/s1
InChIKeyBMRBZVNKRPQSAM-OAHLLOKOSA-N
XLogP4.67
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-[(1R)-1-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]ethyl]-1,2-thiazol-3-yl]-2-fluorobenzoic acid
CID 118508262
(2S)-1-[4-[5-[(1R)-1-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]ethyl]-1,2-thiazol-3-yl]-2-fluorobenzoyl]pyrrolidine-2-carboxamide
CID 118508313
2-[[4-[5-[(1R)-1-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]ethyl]-1,2-thiazol-3-yl]-2-fluorobenzoyl]amino]-3-hydroxypropanoic acid
CID 118508231
tert-butyl 4-[5-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,2-thiazol-3-yl]-2-fluorobenzoate
CID 118508149
1-[2-fluoro-4-[5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-2-pyridinyl]benzoyl]piperidine-4-carboxamide
CID 90016973
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-fluoro-4-[5-[1-[4-(trifluoromethoxy)phenoxy]ethyl]-1,2-thiazol-3-yl]benzamide
CID 118508287
[4-[5-[[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methoxy]-2-pyridinyl]-2-fluorophenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 90017668
4-[5-[2-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]propan-2-yl]-1,2-thiazol-3-yl]-2-fluorobenzaldehyde;3-hydroxy-2-(methylamino)propanamide
CID 144956578
(4-aminopiperidin-1-yl)-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone
CID 119375419
1-(2-fluoro-4-methoxybenzoyl)piperidine-4-carbothioamide
CID 102883173
methyl 4-[5-[1-[4-(cyclopropanecarbonyl)phenoxy]ethyl]-1,2-oxazol-3-yl]-2-fluorobenzoate
CID 118508137
[1-(4-bromo-2-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25475454

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-[(1R)-1-[3-[3-fluoro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-1,2-thiazol-5-yl]ethoxy]-2-pyridinyl]methanone?
The IUPAC name of cyclopropyl-[5-[(1R)-1-[3-[3-fluoro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-1,2-thiazol-5-yl]ethoxy]-2-pyridinyl]methanone (CID 118508295) is cyclopropyl-[5-[(1R)-1-[3-[3-fluoro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-1,2-thiazol-5-yl]ethoxy]-2-pyridinyl]methanone.
What is the SMILES notation for cyclopropyl-[5-[(1R)-1-[3-[3-fluoro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-1,2-thiazol-5-yl]ethoxy]-2-pyridinyl]methanone?
The canonical SMILES for cyclopropyl-[5-[(1R)-1-[3-[3-fluoro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-1,2-thiazol-5-yl]ethoxy]-2-pyridinyl]methanone is C[C@@H](Oc1ccc(C(=O)C2CC2)nc1)c1cc(-c2ccc(C(=O)N3CCC(O)CC3)c(F)c2)ns1.
What is the InChIKey of cyclopropyl-[5-[(1R)-1-[3-[3-fluoro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-1,2-thiazol-5-yl]ethoxy]-2-pyridinyl]methanone?
The InChIKey is BMRBZVNKRPQSAM-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H26FN3O4S/c1-15(34-19-5-7-22(28-14-19)25(32)16-2-3-16)24-13-23(29-35-24)17-4-6-20(21(27)12-17)26(33)30-10-8-18(31)9-11-30/h4-7,12-16,18,31H,2-3,8-11H2,1H3/t15-/m1/s1.
What are the key properties of cyclopropyl-[5-[(1R)-1-[3-[3-fluoro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-1,2-thiazol-5-yl]ethoxy]-2-pyridinyl]methanone?
cyclopropyl-[5-[(1R)-1-[3-[3-fluoro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-1,2-thiazol-5-yl]ethoxy]-2-pyridinyl]methanone has a molecular weight of 495.58 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-[(1R)-1-[3-[3-fluoro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-1,2-thiazol-5-yl]ethoxy]-2-pyridinyl]methanone is sourced from PubChem (CID 118508295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).