N-[3-[3-(3,3-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide

C23H27FN6O2 — CID 126591946

IUPACN-[3-[3-(3,3-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
SMILESCC1(C)COCCN1c1cnc2nc(-c3cc(NC(=O)N4CCCC4)ccc3F)ccn12
InChIInChI=1S/C23H27FN6O2/c1-23(2)15-32-12-11-30(23)20-14-25-21-27-19(7-10-29(20)21)17-13-16(5-6-18(17)24)26-22(31)28-8-3-4-9-28/h5-7,10,13-14H,3-4,8-9,11-12,15H2,1-2H3,(H,26,31)
InChIKeyCKSYMTVYOQCQHI-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.78
Rot. Bonds3

About N-[3-[3-(3,3-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide

N-[3-[3-(3,3-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide (PubChem CID 126591946) has the molecular formula C23H27FN6O2 and a molecular weight of 438.51 g/mol. Its IUPAC name is N-[3-[3-(3,3-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(3,3-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
PubChem CID126591946
Molecular FormulaC23H27FN6O2
Molecular Weight438.51 g/mol
Exact Mass438.22
IUPAC NameN-[3-[3-(3,3-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
SMILESCC1(C)COCCN1c1cnc2nc(-c3cc(NC(=O)N4CCCC4)ccc3F)ccn12
InChIInChI=1S/C23H27FN6O2/c1-23(2)15-32-12-11-30(23)20-14-25-21-27-19(7-10-29(20)21)17-13-16(5-6-18(17)24)26-22(31)28-8-3-4-9-28/h5-7,10,13-14H,3-4,8-9,11-12,15H2,1-2H3,(H,26,31)
InChIKeyCKSYMTVYOQCQHI-UHFFFAOYSA-N
XLogP3.78
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3,3-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-[3-(3,3-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide (CID 126591946) is N-[3-[3-(3,3-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-[3-(3,3-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-[3-(3,3-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide is CC1(C)COCCN1c1cnc2nc(-c3cc(NC(=O)N4CCCC4)ccc3F)ccn12.
What is the InChIKey of N-[3-[3-(3,3-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide?
The InChIKey is CKSYMTVYOQCQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O2/c1-23(2)15-32-12-11-30(23)20-14-25-21-27-19(7-10-29(20)21)17-13-16(5-6-18(17)24)26-22(31)28-8-3-4-9-28/h5-7,10,13-14H,3-4,8-9,11-12,15H2,1-2H3,(H,26,31).
What are the key properties of N-[3-[3-(3,3-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide?
N-[3-[3-(3,3-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide has a molecular weight of 438.51 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3,3-dimethylmorpholin-4-yl)imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 126591946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).