N-[4-fluoro-3-(3-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide

C22H19FN6O — CID 126571971

IUPACN-[4-fluoro-3-(3-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(-c2ccn3c(-c4ccccn4)cnc3n2)c1)N1CCCC1
InChIInChI=1S/C22H19FN6O/c23-17-7-6-15(26-22(30)28-10-3-4-11-28)13-16(17)18-8-12-29-20(14-25-21(29)27-18)19-5-1-2-9-24-19/h1-2,5-9,12-14H,3-4,10-11H2,(H,26,30)
InChIKeyVFSOONKWSVTLQP-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.23
Rot. Bonds3

About N-[4-fluoro-3-(3-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide

N-[4-fluoro-3-(3-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 126571971) has the molecular formula C22H19FN6O and a molecular weight of 402.43 g/mol. Its IUPAC name is N-[4-fluoro-3-(3-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(3-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide
PubChem CID126571971
Molecular FormulaC22H19FN6O
Molecular Weight402.43 g/mol
Exact Mass402.16
IUPAC NameN-[4-fluoro-3-(3-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(-c2ccn3c(-c4ccccn4)cnc3n2)c1)N1CCCC1
InChIInChI=1S/C22H19FN6O/c23-17-7-6-15(26-22(30)28-10-3-4-11-28)13-16(17)18-8-12-29-20(14-25-21(29)27-18)19-5-1-2-9-24-19/h1-2,5-9,12-14H,3-4,10-11H2,(H,26,30)
InChIKeyVFSOONKWSVTLQP-UHFFFAOYSA-N
XLogP4.23
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(3-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-fluoro-3-(3-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide (CID 126571971) is N-[4-fluoro-3-(3-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(3-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(3-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(F)c(-c2ccn3c(-c4ccccn4)cnc3n2)c1)N1CCCC1.
What is the InChIKey of N-[4-fluoro-3-(3-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is VFSOONKWSVTLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O/c23-17-7-6-15(26-22(30)28-10-3-4-11-28)13-16(17)18-8-12-29-20(14-25-21(29)27-18)19-5-1-2-9-24-19/h1-2,5-9,12-14H,3-4,10-11H2,(H,26,30).
What are the key properties of N-[4-fluoro-3-(3-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide?
N-[4-fluoro-3-(3-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(3-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 126571971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).