2-(5-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

C26H24N6O2 — CID 90683666

IUPAC2-(5-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCc1ccc2[nH]cc(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)c2c1
InChIInChI=1S/C26H24N6O2/c1-15(2)32-13-22(21-12-28-14-30-26(21)32)25(34)18-7-19(11-27-9-18)31-24(33)8-17-10-29-23-5-4-16(3)6-20(17)23/h4-7,9-15,29H,8H2,1-3H3,(H,31,33)
InChIKeyOZEAVEXAPOFOFK-UHFFFAOYSA-N
MW452.52 g/mol
LogP4.61
Rot. Bonds6

About 2-(5-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

2-(5-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 90683666) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is 2-(5-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID90683666
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC Name2-(5-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCc1ccc2[nH]cc(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)c2c1
InChIInChI=1S/C26H24N6O2/c1-15(2)32-13-22(21-12-28-14-30-26(21)32)25(34)18-7-19(11-27-9-18)31-24(33)8-17-10-29-23-5-4-16(3)6-20(17)23/h4-7,9-15,29H,8H2,1-3H3,(H,31,33)
InChIKeyOZEAVEXAPOFOFK-UHFFFAOYSA-N
XLogP4.61
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(5-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(5-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 90683666) is 2-(5-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(5-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(5-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is Cc1ccc2[nH]cc(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)c2c1.
What is the InChIKey of 2-(5-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is OZEAVEXAPOFOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-15(2)32-13-22(21-12-28-14-30-26(21)32)25(34)18-7-19(11-27-9-18)31-24(33)8-17-10-29-23-5-4-16(3)6-20(17)23/h4-7,9-15,29H,8H2,1-3H3,(H,31,33).
What are the key properties of 2-(5-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-(5-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 452.52 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 90683666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).