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

C26H23ClN6O2 — CID 90683635

IUPAC2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCc1[nH]c2ccc(Cl)cc2c1CC(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1
InChIInChI=1S/C26H23ClN6O2/c1-14(2)33-12-22(21-11-29-13-30-26(21)33)25(35)16-6-18(10-28-9-16)32-24(34)8-19-15(3)31-23-5-4-17(27)7-20(19)23/h4-7,9-14,31H,8H2,1-3H3,(H,32,34)
InChIKeyDNOLYSJMNHBOTQ-UHFFFAOYSA-N
MW486.96 g/mol
LogP5.26
Rot. Bonds6

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

2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 90683635) has the molecular formula C26H23ClN6O2 and a molecular weight of 486.96 g/mol. Its IUPAC name is 2-(5-chloro-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-(5-chloro-2-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID90683635
Molecular FormulaC26H23ClN6O2
Molecular Weight486.96 g/mol
Exact Mass486.16
IUPAC Name2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCc1[nH]c2ccc(Cl)cc2c1CC(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1
InChIInChI=1S/C26H23ClN6O2/c1-14(2)33-12-22(21-11-29-13-30-26(21)33)25(35)16-6-18(10-28-9-16)32-24(34)8-19-15(3)31-23-5-4-17(27)7-20(19)23/h4-7,9-14,31H,8H2,1-3H3,(H,32,34)
InChIKeyDNOLYSJMNHBOTQ-UHFFFAOYSA-N
XLogP5.26
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.96
LogP ≤ 55.26
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-(5-chloro-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-(5-chloro-2-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 90683635) is 2-(5-chloro-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-(5-chloro-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-(5-chloro-2-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is Cc1[nH]c2ccc(Cl)cc2c1CC(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1.
What is the InChIKey of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is DNOLYSJMNHBOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O2/c1-14(2)33-12-22(21-11-29-13-30-26(21)33)25(35)16-6-18(10-28-9-16)32-24(34)8-19-15(3)31-23-5-4-17(27)7-20(19)23/h4-7,9-14,31H,8H2,1-3H3,(H,32,34).
What are the key properties of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-(5-chloro-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 486.96 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-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 90683635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).