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

C19H16ClN5O — CID 73055651

IUPAC3-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(Cl)cc1-c1cc(-c2ncnc3[nH]ccc23)[nH]c1C(N)=O
InChIInChI=1S/C19H16ClN5O/c1-2-10-3-4-11(20)7-13(10)14-8-15(25-17(14)18(21)26)16-12-5-6-22-19(12)24-9-23-16/h3-9,25H,2H2,1H3,(H2,21,26)(H,22,23,24)
InChIKeyPEZCZVVGBCSRDD-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.93
Rot. Bonds4

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

3-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 73055651) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is 3-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID73055651
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC Name3-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(Cl)cc1-c1cc(-c2ncnc3[nH]ccc23)[nH]c1C(N)=O
InChIInChI=1S/C19H16ClN5O/c1-2-10-3-4-11(20)7-13(10)14-8-15(25-17(14)18(21)26)16-12-5-6-22-19(12)24-9-23-16/h3-9,25H,2H2,1H3,(H2,21,26)(H,22,23,24)
InChIKeyPEZCZVVGBCSRDD-UHFFFAOYSA-N
XLogP3.93
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 3-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide (CID 73055651) is 3-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide is CCc1ccc(Cl)cc1-c1cc(-c2ncnc3[nH]ccc23)[nH]c1C(N)=O.
What is the InChIKey of 3-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is PEZCZVVGBCSRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c1-2-10-3-4-11(20)7-13(10)14-8-15(25-17(14)18(21)26)16-12-5-6-22-19(12)24-9-23-16/h3-9,25H,2H2,1H3,(H2,21,26)(H,22,23,24).
What are the key properties of 3-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide?
3-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 365.82 g/mol, XLogP of 3.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-ethylphenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 73055651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).