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

C26H24N6O3 — CID 90683811

IUPAC2-(5-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCOc1ccc2c(ccn2CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)c1
InChIInChI=1S/C26H24N6O3/c1-16(2)32-13-22(21-12-28-15-29-26(21)32)25(34)18-8-19(11-27-10-18)30-24(33)14-31-7-6-17-9-20(35-3)4-5-23(17)31/h4-13,15-16H,14H2,1-3H3,(H,30,33)
InChIKeyJEVNHQJCQCTVSO-UHFFFAOYSA-N
MW468.52 g/mol
LogP4.24
Rot. Bonds7

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

2-(5-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 90683811) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is 2-(5-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(5-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID90683811
Molecular FormulaC26H24N6O3
Molecular Weight468.52 g/mol
Exact Mass468.19
IUPAC Name2-(5-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCOc1ccc2c(ccn2CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)c1
InChIInChI=1S/C26H24N6O3/c1-16(2)32-13-22(21-12-28-15-29-26(21)32)25(34)18-8-19(11-27-10-18)30-24(33)14-31-7-6-17-9-20(35-3)4-5-23(17)31/h4-13,15-16H,14H2,1-3H3,(H,30,33)
InChIKeyJEVNHQJCQCTVSO-UHFFFAOYSA-N
XLogP4.24
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(5-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 90683811) is 2-(5-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(5-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(5-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is COc1ccc2c(ccn2CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)c1.
What is the InChIKey of 2-(5-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is JEVNHQJCQCTVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3/c1-16(2)32-13-22(21-12-28-15-29-26(21)32)25(34)18-8-19(11-27-10-18)30-24(33)14-31-7-6-17-9-20(35-3)4-5-23(17)31/h4-13,15-16H,14H2,1-3H3,(H,30,33).
What are the key properties of 2-(5-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-(5-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 468.52 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 90683811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).