(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(7-morpholin-4-ylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide

C23H22FN5O3S — CID 175779646

IUPAC(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(7-morpholin-4-ylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(F)cc1[C@H](C(=O)Nc1nccs1)n1cc2cccc(N3CCOCC3)c2n1
InChIInChI=1S/C23H22FN5O3S/c1-31-19-6-5-16(24)13-17(19)21(22(30)26-23-25-7-12-33-23)29-14-15-3-2-4-18(20(15)27-29)28-8-10-32-11-9-28/h2-7,12-14,21H,8-11H2,1H3,(H,25,26,30)/t21-/m1/s1
InChIKeyNTDMYWDOMVGGSM-OAQYLSRUSA-N
MW467.53 g/mol
LogP3.71
Rot. Bonds6

About (2R)-2-(5-fluoro-2-methoxyphenyl)-2-(7-morpholin-4-ylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide

(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(7-morpholin-4-ylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 175779646) has the molecular formula C23H22FN5O3S and a molecular weight of 467.53 g/mol. Its IUPAC name is (2R)-2-(5-fluoro-2-methoxyphenyl)-2-(7-morpholin-4-ylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(7-morpholin-4-ylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID175779646
Molecular FormulaC23H22FN5O3S
Molecular Weight467.53 g/mol
Exact Mass467.14
IUPAC Name(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(7-morpholin-4-ylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(F)cc1[C@H](C(=O)Nc1nccs1)n1cc2cccc(N3CCOCC3)c2n1
InChIInChI=1S/C23H22FN5O3S/c1-31-19-6-5-16(24)13-17(19)21(22(30)26-23-25-7-12-33-23)29-14-15-3-2-4-18(20(15)27-29)28-8-10-32-11-9-28/h2-7,12-14,21H,8-11H2,1H3,(H,25,26,30)/t21-/m1/s1
InChIKeyNTDMYWDOMVGGSM-OAQYLSRUSA-N
XLogP3.71
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 40932948
2-[4-chloro-7-fluoro-6-(2-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 175217337
(2R)-2-(4-chloro-7-fluoro-5-iodo-3-oxo-1H-isoindol-2-yl)-2-(5-fluoro-2-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 175690312
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide
CID 41394791
2-[4-(difluoromethyl)-7-methyl-6-(4-morpholin-4-ylphenyl)indazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 163388631
N-(5-fluoro-2-morpholin-4-ylphenyl)-2,6-dimethoxybenzamide
CID 113092695
N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 22283227
4-[4-[7-fluoro-2-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]indazol-6-yl]phenyl]piperazine-1-carboxylic acid
CID 139558828
[1-(2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid
CID 137352458
1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 108867903
2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)oxy-N-(1,3-thiazol-2-yl)acetamide
CID 95922781
4-[2-[1-[5-fluoro-2-(methoxymethoxy)phenyl]-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3-oxo-1H-isoindol-5-yl]benzoic acid
CID 139511922

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-fluoro-2-methoxyphenyl)-2-(7-morpholin-4-ylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of (2R)-2-(5-fluoro-2-methoxyphenyl)-2-(7-morpholin-4-ylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 175779646) is (2R)-2-(5-fluoro-2-methoxyphenyl)-2-(7-morpholin-4-ylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for (2R)-2-(5-fluoro-2-methoxyphenyl)-2-(7-morpholin-4-ylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for (2R)-2-(5-fluoro-2-methoxyphenyl)-2-(7-morpholin-4-ylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide is COc1ccc(F)cc1[C@H](C(=O)Nc1nccs1)n1cc2cccc(N3CCOCC3)c2n1.
What is the InChIKey of (2R)-2-(5-fluoro-2-methoxyphenyl)-2-(7-morpholin-4-ylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is NTDMYWDOMVGGSM-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H22FN5O3S/c1-31-19-6-5-16(24)13-17(19)21(22(30)26-23-25-7-12-33-23)29-14-15-3-2-4-18(20(15)27-29)28-8-10-32-11-9-28/h2-7,12-14,21H,8-11H2,1H3,(H,25,26,30)/t21-/m1/s1.
What are the key properties of (2R)-2-(5-fluoro-2-methoxyphenyl)-2-(7-morpholin-4-ylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(7-morpholin-4-ylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 467.53 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-fluoro-2-methoxyphenyl)-2-(7-morpholin-4-ylindazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 175779646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).