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

C26H24N6O2 — CID 90683641

IUPAC2-(2-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1
InChIInChI=1S/C26H24N6O2/c1-15(2)32-13-22(21-12-28-14-29-26(21)32)25(34)17-8-18(11-27-10-17)31-24(33)9-20-16(3)30-23-7-5-4-6-19(20)23/h4-8,10-15,30H,9H2,1-3H3,(H,31,33)
InChIKeyZUZYOGHRVKHRNE-UHFFFAOYSA-N
MW452.52 g/mol
LogP4.61
Rot. Bonds6

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

2-(2-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 90683641) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID90683641
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1
InChIInChI=1S/C26H24N6O2/c1-15(2)32-13-22(21-12-28-14-29-26(21)32)25(34)17-8-18(11-27-10-17)31-24(33)9-20-16(3)30-23-7-5-4-6-19(20)23/h4-8,10-15,30H,9H2,1-3H3,(H,31,33)
InChIKeyZUZYOGHRVKHRNE-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-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-(2-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 90683641) is 2-(2-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-(2-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-(2-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is Cc1[nH]c2ccccc2c1CC(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is ZUZYOGHRVKHRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-15(2)32-13-22(21-12-28-14-29-26(21)32)25(34)17-8-18(11-27-10-17)31-24(33)9-20-16(3)30-23-7-5-4-6-19(20)23/h4-8,10-15,30H,9H2,1-3H3,(H,31,33).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-(2-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-(2-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 90683641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).