5-(2-aminopyrimidin-4-yl)-2-(3-chloro-2-fluorophenyl)-1H-pyrrole-3-carboxamide

C15H11ClFN5O — CID 24809831

IUPAC5-(2-aminopyrimidin-4-yl)-2-(3-chloro-2-fluorophenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1cccc(Cl)c1F
InChIInChI=1S/C15H11ClFN5O/c16-9-3-1-2-7(12(9)17)13-8(14(18)23)6-11(21-13)10-4-5-20-15(19)22-10/h1-6,21H,(H2,18,23)(H2,19,20,22)
InChIKeySTYDCKZSEKRYDK-UHFFFAOYSA-N
MW331.74 g/mol
LogP2.61
Rot. Bonds3

About 5-(2-aminopyrimidin-4-yl)-2-(3-chloro-2-fluorophenyl)-1H-pyrrole-3-carboxamide

5-(2-aminopyrimidin-4-yl)-2-(3-chloro-2-fluorophenyl)-1H-pyrrole-3-carboxamide (PubChem CID 24809831) has the molecular formula C15H11ClFN5O and a molecular weight of 331.74 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-2-(3-chloro-2-fluorophenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-2-(3-chloro-2-fluorophenyl)-1H-pyrrole-3-carboxamide
PubChem CID24809831
Molecular FormulaC15H11ClFN5O
Molecular Weight331.74 g/mol
Exact Mass331.06
IUPAC Name5-(2-aminopyrimidin-4-yl)-2-(3-chloro-2-fluorophenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1cccc(Cl)c1F
InChIInChI=1S/C15H11ClFN5O/c16-9-3-1-2-7(12(9)17)13-8(14(18)23)6-11(21-13)10-4-5-20-15(19)22-10/h1-6,21H,(H2,18,23)(H2,19,20,22)
InChIKeySTYDCKZSEKRYDK-UHFFFAOYSA-N
XLogP2.61
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.74
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(3-chloro-2-fluorophenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(3-chloro-2-fluorophenyl)-1H-pyrrole-3-carboxamide (CID 24809831) is 5-(2-aminopyrimidin-4-yl)-2-(3-chloro-2-fluorophenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-2-(3-chloro-2-fluorophenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-2-(3-chloro-2-fluorophenyl)-1H-pyrrole-3-carboxamide is NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1cccc(Cl)c1F.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-2-(3-chloro-2-fluorophenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is STYDCKZSEKRYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5O/c16-9-3-1-2-7(12(9)17)13-8(14(18)23)6-11(21-13)10-4-5-20-15(19)22-10/h1-6,21H,(H2,18,23)(H2,19,20,22).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-2-(3-chloro-2-fluorophenyl)-1H-pyrrole-3-carboxamide?
5-(2-aminopyrimidin-4-yl)-2-(3-chloro-2-fluorophenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 331.74 g/mol, XLogP of 2.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopyrimidin-4-yl)-2-(3-chloro-2-fluorophenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 24809831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).