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

C26H23FN6O3 — CID 90683670

IUPAC2-(5-fluoro-7-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCOc1cc(F)cc2ccn(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)c12
InChIInChI=1S/C26H23FN6O3/c1-15(2)33-12-21(20-11-29-14-30-26(20)33)25(35)17-7-19(10-28-9-17)31-23(34)13-32-5-4-16-6-18(27)8-22(36-3)24(16)32/h4-12,14-15H,13H2,1-3H3,(H,31,34)
InChIKeySZOIIRZIRRAUAZ-UHFFFAOYSA-N
MW486.51 g/mol
LogP4.38
Rot. Bonds7

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

2-(5-fluoro-7-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 90683670) has the molecular formula C26H23FN6O3 and a molecular weight of 486.51 g/mol. Its IUPAC name is 2-(5-fluoro-7-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-7-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID90683670
Molecular FormulaC26H23FN6O3
Molecular Weight486.51 g/mol
Exact Mass486.18
IUPAC Name2-(5-fluoro-7-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCOc1cc(F)cc2ccn(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)c12
InChIInChI=1S/C26H23FN6O3/c1-15(2)33-12-21(20-11-29-14-30-26(20)33)25(35)17-7-19(10-28-9-17)31-23(34)13-32-5-4-16-6-18(27)8-22(36-3)24(16)32/h4-12,14-15H,13H2,1-3H3,(H,31,34)
InChIKeySZOIIRZIRRAUAZ-UHFFFAOYSA-N
XLogP4.38
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-7-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(5-fluoro-7-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 90683670) is 2-(5-fluoro-7-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-fluoro-7-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(5-fluoro-7-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is COc1cc(F)cc2ccn(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)c12.
What is the InChIKey of 2-(5-fluoro-7-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is SZOIIRZIRRAUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O3/c1-15(2)33-12-21(20-11-29-14-30-26(20)33)25(35)17-7-19(10-28-9-17)31-23(34)13-32-5-4-16-6-18(27)8-22(36-3)24(16)32/h4-12,14-15H,13H2,1-3H3,(H,31,34).
What are the key properties of 2-(5-fluoro-7-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-(5-fluoro-7-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 486.51 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-7-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 90683670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).