4-tert-butyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide

C24H24N4O — CID 74221357

IUPAC4-tert-butyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2ccc(-c3ncnc4[nH]ccc34)cc2)cc1
InChIInChI=1S/C24H24N4O/c1-24(2,3)19-10-8-18(9-11-19)23(29)26-14-16-4-6-17(7-5-16)21-20-12-13-25-22(20)28-15-27-21/h4-13,15H,14H2,1-3H3,(H,26,29)(H,25,27,28)
InChIKeyODLDMAFDYHTWSE-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.85
Rot. Bonds4

About 4-tert-butyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide

4-tert-butyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide (PubChem CID 74221357) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-tert-butyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide
PubChem CID74221357
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-tert-butyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2ccc(-c3ncnc4[nH]ccc34)cc2)cc1
InChIInChI=1S/C24H24N4O/c1-24(2,3)19-10-8-18(9-11-19)23(29)26-14-16-4-6-17(7-5-16)21-20-12-13-25-22(20)28-15-27-21/h4-13,15H,14H2,1-3H3,(H,26,29)(H,25,27,28)
InChIKeyODLDMAFDYHTWSE-UHFFFAOYSA-N
XLogP4.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide (CID 74221357) is 4-tert-butyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide is CC(C)(C)c1ccc(C(=O)NCc2ccc(-c3ncnc4[nH]ccc34)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide?
The InChIKey is ODLDMAFDYHTWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-24(2,3)19-10-8-18(9-11-19)23(29)26-14-16-4-6-17(7-5-16)21-20-12-13-25-22(20)28-15-27-21/h4-13,15H,14H2,1-3H3,(H,26,29)(H,25,27,28).
What are the key properties of 4-tert-butyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide?
4-tert-butyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 74221357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).