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

C26H24N6O3 — CID 90683642

IUPAC2-(5-methoxy-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)c2c1
InChIInChI=1S/C26H24N6O3/c1-15(2)32-13-22(21-12-28-14-30-26(21)32)25(34)17-6-18(11-27-9-17)31-24(33)7-16-10-29-23-5-4-19(35-3)8-20(16)23/h4-6,8-15,29H,7H2,1-3H3,(H,31,33)
InChIKeyUDYNIHAXEVNANA-UHFFFAOYSA-N
MW468.52 g/mol
LogP4.31
Rot. Bonds7

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

2-(5-methoxy-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 90683642) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID90683642
Molecular FormulaC26H24N6O3
Molecular Weight468.52 g/mol
Exact Mass468.19
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)c2c1
InChIInChI=1S/C26H24N6O3/c1-15(2)32-13-22(21-12-28-14-30-26(21)32)25(34)17-6-18(11-27-9-17)31-24(33)7-16-10-29-23-5-4-19(35-3)8-20(16)23/h4-6,8-15,29H,7H2,1-3H3,(H,31,33)
InChIKeyUDYNIHAXEVNANA-UHFFFAOYSA-N
XLogP4.31
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Bay 61-3606
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2-((2-((1-(2-(Dimethylamino)acetyl)-5-methoxyindolin-6-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-6-fluoro-N-methylbenzamide
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2-[(2-{[1-(N,N-dimethylglycyl)-5-(methyloxy)-2,3-dihydro-1H-indol-6-yl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluorobenzamide
CID 25211575
2-fluoro-6-{[2-({5-methoxy-1-[2-(pyrrolidin-1-yl)acetyl]-2,3-dihydro-1H-indol-6-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
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2-{[2-({1-[2-(azetidin-1-yl)acetyl]-5-methoxy-2,3-dihydro-1H-indol-6-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluorobenzamide
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2-[(2-{[2-methoxy-4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-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-methoxy-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 90683642) is 2-(5-methoxy-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-methoxy-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-methoxy-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is COc1ccc2[nH]cc(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is UDYNIHAXEVNANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3/c1-15(2)32-13-22(21-12-28-14-30-26(21)32)25(34)17-6-18(11-27-9-17)31-24(33)7-16-10-29-23-5-4-19(35-3)8-20(16)23/h4-6,8-15,29H,7H2,1-3H3,(H,31,33).
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-(5-methoxy-1H-indol-3-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 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 90683642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).