N-[3-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide

C23H27FN6O2 — CID 135285714

IUPACN-[3-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
SMILESC[C@@H]1CN(c2cnc3nc(-c4cc(NC(=O)N5CCCC5)ccc4F)ccn23)C[C@H](C)O1
InChIInChI=1S/C23H27FN6O2/c1-15-13-29(14-16(2)32-15)21-12-25-22-27-20(7-10-30(21)22)18-11-17(5-6-19(18)24)26-23(31)28-8-3-4-9-28/h5-7,10-12,15-16H,3-4,8-9,13-14H2,1-2H3,(H,26,31)/t15-,16+
InChIKeyRQSDERGYCDSANM-IYBDPMFKSA-N
MW438.51 g/mol
LogP3.78
Rot. Bonds3

About N-[3-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide

N-[3-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide (PubChem CID 135285714) has the molecular formula C23H27FN6O2 and a molecular weight of 438.51 g/mol. Its IUPAC name is N-[3-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
PubChem CID135285714
Molecular FormulaC23H27FN6O2
Molecular Weight438.51 g/mol
Exact Mass438.22
IUPAC NameN-[3-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
SMILESC[C@@H]1CN(c2cnc3nc(-c4cc(NC(=O)N5CCCC5)ccc4F)ccn23)C[C@H](C)O1
InChIInChI=1S/C23H27FN6O2/c1-15-13-29(14-16(2)32-15)21-12-25-22-27-20(7-10-30(21)22)18-11-17(5-6-19(18)24)26-23(31)28-8-3-4-9-28/h5-7,10-12,15-16H,3-4,8-9,13-14H2,1-2H3,(H,26,31)/t15-,16+
InChIKeyRQSDERGYCDSANM-IYBDPMFKSA-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-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide (CID 135285714) is N-[3-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide is C[C@@H]1CN(c2cnc3nc(-c4cc(NC(=O)N5CCCC5)ccc4F)ccn23)C[C@H](C)O1.
What is the InChIKey of N-[3-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide?
The InChIKey is RQSDERGYCDSANM-IYBDPMFKSA-N. The full InChI is InChI=1S/C23H27FN6O2/c1-15-13-29(14-16(2)32-15)21-12-25-22-27-20(7-10-30(21)22)18-11-17(5-6-19(18)24)26-23(31)28-8-3-4-9-28/h5-7,10-12,15-16H,3-4,8-9,13-14H2,1-2H3,(H,26,31)/t15-,16+.
What are the key properties of N-[3-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide?
N-[3-[3-[(2R,6S)-2,6-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-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 135285714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).