phenyl-(4-phenyl-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone

C24H16N4O — CID 73294669

IUPACphenyl-(4-phenyl-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone
SMILESO=C(c1ccccc1)c1[nH]c2ncnc(-c3ccccc3)c2c1-c1cccnc1
InChIInChI=1S/C24H16N4O/c29-23(17-10-5-2-6-11-17)22-19(18-12-7-13-25-14-18)20-21(16-8-3-1-4-9-16)26-15-27-24(20)28-22/h1-15H,(H,26,27,28)
InChIKeyLSPCBQILRIZZNK-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.92
Rot. Bonds4

About phenyl-(4-phenyl-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone

phenyl-(4-phenyl-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone (PubChem CID 73294669) has the molecular formula C24H16N4O and a molecular weight of 376.42 g/mol. Its IUPAC name is phenyl-(4-phenyl-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Namephenyl-(4-phenyl-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone
PubChem CID73294669
Molecular FormulaC24H16N4O
Molecular Weight376.42 g/mol
Exact Mass376.13
IUPAC Namephenyl-(4-phenyl-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone
SMILESO=C(c1ccccc1)c1[nH]c2ncnc(-c3ccccc3)c2c1-c1cccnc1
InChIInChI=1S/C24H16N4O/c29-23(17-10-5-2-6-11-17)22-19(18-12-7-13-25-14-18)20-21(16-8-3-1-4-9-16)26-15-27-24(20)28-22/h1-15H,(H,26,27,28)
InChIKeyLSPCBQILRIZZNK-UHFFFAOYSA-N
XLogP4.92
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl-(4-phenyl-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone?
The IUPAC name of phenyl-(4-phenyl-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone (CID 73294669) is phenyl-(4-phenyl-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for phenyl-(4-phenyl-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone?
The canonical SMILES for phenyl-(4-phenyl-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone is O=C(c1ccccc1)c1[nH]c2ncnc(-c3ccccc3)c2c1-c1cccnc1.
What is the InChIKey of phenyl-(4-phenyl-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone?
The InChIKey is LSPCBQILRIZZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O/c29-23(17-10-5-2-6-11-17)22-19(18-12-7-13-25-14-18)20-21(16-8-3-1-4-9-16)26-15-27-24(20)28-22/h1-15H,(H,26,27,28).
What are the key properties of phenyl-(4-phenyl-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone?
phenyl-(4-phenyl-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone has a molecular weight of 376.42 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-phenyl-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 73294669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).