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

C17H13N5O — CID 118129230

IUPAC4-phenyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-3-carboxamide
SMILESNC(=O)c1cn(-c2ncnc3[nH]ccc23)cc1-c1ccccc1
InChIInChI=1S/C17H13N5O/c18-15(23)14-9-22(8-13(14)11-4-2-1-3-5-11)17-12-6-7-19-16(12)20-10-21-17/h1-10H,(H2,18,23)(H,19,20,21)
InChIKeyIBAKZUHOEWYQRB-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.51
Rot. Bonds3

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

4-phenyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-3-carboxamide (PubChem CID 118129230) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-phenyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-phenyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-3-carboxamide
PubChem CID118129230
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name4-phenyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-3-carboxamide
SMILESNC(=O)c1cn(-c2ncnc3[nH]ccc23)cc1-c1ccccc1
InChIInChI=1S/C17H13N5O/c18-15(23)14-9-22(8-13(14)11-4-2-1-3-5-11)17-12-6-7-19-16(12)20-10-21-17/h1-10H,(H2,18,23)(H,19,20,21)
InChIKeyIBAKZUHOEWYQRB-UHFFFAOYSA-N
XLogP2.51
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
CID 118129307
2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)isoindole-1,3-dione
CID 10355426
N-(2-carbamoylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166336925
1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 23515094
phenyl-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 66887998
phenyl-[(5S)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 70808201
2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 172616633
2-phenyl-1H-pyrrole-3-carboxamide
CID 57029978
3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57482985
[4-(3-phenylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
CID 56746133
[3-[4-cyano-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrol-3-yl]-4-methylphenyl]iodanium
CID 163927016
1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 146014294

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-3-carboxamide?
The IUPAC name of 4-phenyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-3-carboxamide (CID 118129230) is 4-phenyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 4-phenyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-3-carboxamide?
The canonical SMILES for 4-phenyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-3-carboxamide is NC(=O)c1cn(-c2ncnc3[nH]ccc23)cc1-c1ccccc1.
What is the InChIKey of 4-phenyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-3-carboxamide?
The InChIKey is IBAKZUHOEWYQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c18-15(23)14-9-22(8-13(14)11-4-2-1-3-5-11)17-12-6-7-19-16(12)20-10-21-17/h1-10H,(H2,18,23)(H,19,20,21).
What are the key properties of 4-phenyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-3-carboxamide?
4-phenyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-3-carboxamide has a molecular weight of 303.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 118129230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).