(2S)-2-(4-chlorophenyl)-2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide

C26H22ClN5O2 — CID 158070342

IUPAC(2S)-2-(4-chlorophenyl)-2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide
SMILESCO[C@H](C(=O)Nc1ccc(-c2nccn3cc(-c4cnn(C)c4)cc23)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H22ClN5O2/c1-31-15-20(14-29-31)19-13-23-24(28-11-12-32(23)16-19)17-5-9-22(10-6-17)30-26(33)25(34-2)18-3-7-21(27)8-4-18/h3-16,25H,1-2H3,(H,30,33)/t25-/m0/s1
InChIKeyCEGOSDPUMKFMLK-VWLOTQADSA-N
MW471.95 g/mol
LogP5.38
Rot. Bonds6

About (2S)-2-(4-chlorophenyl)-2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide

(2S)-2-(4-chlorophenyl)-2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide (PubChem CID 158070342) has the molecular formula C26H22ClN5O2 and a molecular weight of 471.95 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide
PubChem CID158070342
Molecular FormulaC26H22ClN5O2
Molecular Weight471.95 g/mol
Exact Mass471.15
IUPAC Name(2S)-2-(4-chlorophenyl)-2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide
SMILESCO[C@H](C(=O)Nc1ccc(-c2nccn3cc(-c4cnn(C)c4)cc23)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H22ClN5O2/c1-31-15-20(14-29-31)19-13-23-24(28-11-12-32(23)16-19)17-5-9-22(10-6-17)30-26(33)25(34-2)18-3-7-21(27)8-4-18/h3-16,25H,1-2H3,(H,30,33)/t25-/m0/s1
InChIKeyCEGOSDPUMKFMLK-VWLOTQADSA-N
XLogP5.38
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.95
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R)-1-(4-chlorophenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264103
[(1S)-1-(4-chlorophenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264232
[1-(4-Chloro-2,3,5,6-tetradeuteriophenyl)-2,2,2-trideuterioethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 175885235
[(1R)-1-(4-chlorophenyl)ethyl] 2,2,3,3,5,5,6,6-octadeuterio-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 176509584
N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methoxy-2-phenylacetamide
CID 42791789
2-methoxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-phenylacetamide
CID 126492055
(2R)-2-(4-chlorophenyl)-2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide
CID 126492073
2-(4-chlorophenyl)-2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide
CID 126492074
(2S)-2-(4-chlorophenyl)-2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide
CID 126492075
(2R)-2-(4-chlorophenyl)-2-methoxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide
CID 126492088
(2S)-2-(4-chlorophenyl)-2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propanamide
CID 126492089
2-(4-chlorophenyl)-2-methoxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide
CID 126492091

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide (CID 158070342) is (2S)-2-(4-chlorophenyl)-2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide is CO[C@H](C(=O)Nc1ccc(-c2nccn3cc(-c4cnn(C)c4)cc23)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide?
The InChIKey is CEGOSDPUMKFMLK-VWLOTQADSA-N. The full InChI is InChI=1S/C26H22ClN5O2/c1-31-15-20(14-29-31)19-13-23-24(28-11-12-32(23)16-19)17-5-9-22(10-6-17)30-26(33)25(34-2)18-3-7-21(27)8-4-18/h3-16,25H,1-2H3,(H,30,33)/t25-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide?
(2S)-2-(4-chlorophenyl)-2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide has a molecular weight of 471.95 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 158070342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).