3-phenyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide

C17H13N5O — CID 118129307

IUPAC3-phenyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1[nH]c(-c2ncnc3[nH]ccc23)cc1-c1ccccc1
InChIInChI=1S/C17H13N5O/c18-16(23)15-12(10-4-2-1-3-5-10)8-13(22-15)14-11-6-7-19-17(11)21-9-20-14/h1-9,22H,(H2,18,23)(H,19,20,21)
InChIKeySRKAHCUSLVUBGC-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.72
Rot. Bonds3

About 3-phenyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide

3-phenyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 118129307) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 3-phenyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-phenyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID118129307
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name3-phenyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1[nH]c(-c2ncnc3[nH]ccc23)cc1-c1ccccc1
InChIInChI=1S/C17H13N5O/c18-16(23)15-12(10-4-2-1-3-5-10)8-13(22-15)14-11-6-7-19-17(11)21-9-20-14/h1-9,22H,(H2,18,23)(H,19,20,21)
InChIKeySRKAHCUSLVUBGC-UHFFFAOYSA-N
XLogP2.72
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 3-phenyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide (CID 118129307) is 3-phenyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3-phenyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3-phenyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide is NC(=O)c1[nH]c(-c2ncnc3[nH]ccc23)cc1-c1ccccc1.
What is the InChIKey of 3-phenyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is SRKAHCUSLVUBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c18-16(23)15-12(10-4-2-1-3-5-10)8-13(22-15)14-11-6-7-19-17(11)21-9-20-14/h1-9,22H,(H2,18,23)(H,19,20,21).
What are the key properties of 3-phenyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide?
3-phenyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 303.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 118129307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).