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2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide

C26H29N7O2 — CID 171431506

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide
SMILESCC(C)(C)c1cnc(CC(=O)Nc2ccc(-c3cc4c(N5CCOCC5)ncnc4[nH]3)cc2)cn1
InChIInChI=1S/C26H29N7O2/c1-26(2,3)22-15-27-19(14-28-22)12-23(34)31-18-6-4-17(5-7-18)21-13-20-24(32-21)29-16-30-25(20)33-8-10-35-11-9-33/h4-7,13-16H,8-12H2,1-3H3,(H,31,34)(H,29,30,32)
InChIKeyPIIVBNVMBONOLA-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.73
Rot. Bonds5

About 2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide

2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide (PubChem CID 171431506) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is 2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide
PubChem CID171431506
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC Name2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide
SMILESCC(C)(C)c1cnc(CC(=O)Nc2ccc(-c3cc4c(N5CCOCC5)ncnc4[nH]3)cc2)cn1
InChIInChI=1S/C26H29N7O2/c1-26(2,3)22-15-27-19(14-28-22)12-23(34)31-18-6-4-17(5-7-18)21-13-20-24(32-21)29-16-30-25(20)33-8-10-35-11-9-33/h4-7,13-16H,8-12H2,1-3H3,(H,31,34)(H,29,30,32)
InChIKeyPIIVBNVMBONOLA-UHFFFAOYSA-N
XLogP3.73
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide?
The IUPAC name of 2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide (CID 171431506) is 2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide.
What is the SMILES notation for 2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide?
The canonical SMILES for 2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide is CC(C)(C)c1cnc(CC(=O)Nc2ccc(-c3cc4c(N5CCOCC5)ncnc4[nH]3)cc2)cn1.
What is the InChIKey of 2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide?
The InChIKey is PIIVBNVMBONOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-26(2,3)22-15-27-19(14-28-22)12-23(34)31-18-6-4-17(5-7-18)21-13-20-24(32-21)29-16-30-25(20)33-8-10-35-11-9-33/h4-7,13-16H,8-12H2,1-3H3,(H,31,34)(H,29,30,32).
What are the key properties of 2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide?
2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide has a molecular weight of 471.57 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide is sourced from PubChem (CID 171431506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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