5-(2-aminopyrimidin-4-yl)-2-(2-fluoro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide

C16H14FN5O2 — CID 24809833

IUPAC5-(2-aminopyrimidin-4-yl)-2-(2-fluoro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESCOc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1F
InChIInChI=1S/C16H14FN5O2/c1-24-12-4-2-3-8(13(12)17)14-9(15(18)23)7-11(21-14)10-5-6-20-16(19)22-10/h2-7,21H,1H3,(H2,18,23)(H2,19,20,22)
InChIKeyOHNOBXYZLQEDIC-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.97
Rot. Bonds4

About 5-(2-aminopyrimidin-4-yl)-2-(2-fluoro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide

5-(2-aminopyrimidin-4-yl)-2-(2-fluoro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 24809833) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-2-(2-fluoro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-2-(2-fluoro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide
PubChem CID24809833
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC Name5-(2-aminopyrimidin-4-yl)-2-(2-fluoro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESCOc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1F
InChIInChI=1S/C16H14FN5O2/c1-24-12-4-2-3-8(13(12)17)14-9(15(18)23)7-11(21-14)10-5-6-20-16(19)22-10/h2-7,21H,1H3,(H2,18,23)(H2,19,20,22)
InChIKeyOHNOBXYZLQEDIC-UHFFFAOYSA-N
XLogP1.97
TPSA119.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(2-fluoro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-2-(2-fluoro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide (CID 24809833) is 5-(2-aminopyrimidin-4-yl)-2-(2-fluoro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-2-(2-fluoro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-2-(2-fluoro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide is COc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1F.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-2-(2-fluoro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is OHNOBXYZLQEDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c1-24-12-4-2-3-8(13(12)17)14-9(15(18)23)7-11(21-14)10-5-6-20-16(19)22-10/h2-7,21H,1H3,(H2,18,23)(H2,19,20,22).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-2-(2-fluoro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide?
5-(2-aminopyrimidin-4-yl)-2-(2-fluoro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 327.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopyrimidin-4-yl)-2-(2-fluoro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 24809833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).