N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide

C23H27N5OS — CID 51495694

IUPACN-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
SMILESCC[C@@H](NC(=O)Cn1c(-c2cccs2)cc2cccnc21)c1c(C)nn(CC)c1C
InChIInChI=1S/C23H27N5OS/c1-5-18(22-15(3)26-28(6-2)16(22)4)25-21(29)14-27-19(20-10-8-12-30-20)13-17-9-7-11-24-23(17)27/h7-13,18H,5-6,14H2,1-4H3,(H,25,29)/t18-/m1/s1
InChIKeyMURKDOUZJWYEHG-GOSISDBHSA-N
MW421.57 g/mol
LogP4.87
Rot. Bonds7

About N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide

N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide (PubChem CID 51495694) has the molecular formula C23H27N5OS and a molecular weight of 421.57 g/mol. Its IUPAC name is N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
PubChem CID51495694
Molecular FormulaC23H27N5OS
Molecular Weight421.57 g/mol
Exact Mass421.19
IUPAC NameN-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
SMILESCC[C@@H](NC(=O)Cn1c(-c2cccs2)cc2cccnc21)c1c(C)nn(CC)c1C
InChIInChI=1S/C23H27N5OS/c1-5-18(22-15(3)26-28(6-2)16(22)4)25-21(29)14-27-19(20-10-8-12-30-20)13-17-9-7-11-24-23(17)27/h7-13,18H,5-6,14H2,1-4H3,(H,25,29)/t18-/m1/s1
InChIKeyMURKDOUZJWYEHG-GOSISDBHSA-N
XLogP4.87
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-pyridin-4-ylethyl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 46962969
N-tert-butyl-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 16676126
N-[2-(3-methylpyrazol-1-yl)ethyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 46962980
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 16672682
N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 16676186
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2,8-dimethylquinoline-3-carboxamide
CID 46954578
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 131916941
N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 92614727
N-(3-methylphenyl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19470053
N-(2,6-dichlorophenyl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19469970
2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
CID 92603142
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 118793475

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide (CID 51495694) is N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide is CC[C@@H](NC(=O)Cn1c(-c2cccs2)cc2cccnc21)c1c(C)nn(CC)c1C.
What is the InChIKey of N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The InChIKey is MURKDOUZJWYEHG-GOSISDBHSA-N. The full InChI is InChI=1S/C23H27N5OS/c1-5-18(22-15(3)26-28(6-2)16(22)4)25-21(29)14-27-19(20-10-8-12-30-20)13-17-9-7-11-24-23(17)27/h7-13,18H,5-6,14H2,1-4H3,(H,25,29)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide has a molecular weight of 421.57 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 51495694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).