N-[4-fluoro-3-[3-[(2S)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide

C22H25FN6O2 — CID 126571953

IUPACN-[4-fluoro-3-[3-[(2S)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide
SMILESC[C@H]1CN(c2cnc3nc(-c4cc(NC(=O)N5CCCC5)ccc4F)ccn23)CCO1
InChIInChI=1S/C22H25FN6O2/c1-15-14-28(10-11-31-15)20-13-24-21-26-19(6-9-29(20)21)17-12-16(4-5-18(17)23)25-22(30)27-7-2-3-8-27/h4-6,9,12-13,15H,2-3,7-8,10-11,14H2,1H3,(H,25,30)/t15-/m0/s1
InChIKeyVHYGIMAOQCVLPU-HNNXBMFYSA-N
MW424.48 g/mol
LogP3.39
Rot. Bonds3

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

N-[4-fluoro-3-[3-[(2S)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 126571953) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[4-fluoro-3-[3-[(2S)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[3-[(2S)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide
PubChem CID126571953
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC NameN-[4-fluoro-3-[3-[(2S)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide
SMILESC[C@H]1CN(c2cnc3nc(-c4cc(NC(=O)N5CCCC5)ccc4F)ccn23)CCO1
InChIInChI=1S/C22H25FN6O2/c1-15-14-28(10-11-31-15)20-13-24-21-26-19(6-9-29(20)21)17-12-16(4-5-18(17)23)25-22(30)27-7-2-3-8-27/h4-6,9,12-13,15H,2-3,7-8,10-11,14H2,1H3,(H,25,30)/t15-/m0/s1
InChIKeyVHYGIMAOQCVLPU-HNNXBMFYSA-N
XLogP3.39
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[3-[(2S)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-fluoro-3-[3-[(2S)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide (CID 126571953) is N-[4-fluoro-3-[3-[(2S)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-[3-[(2S)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-fluoro-3-[3-[(2S)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide is C[C@H]1CN(c2cnc3nc(-c4cc(NC(=O)N5CCCC5)ccc4F)ccn23)CCO1.
What is the InChIKey of N-[4-fluoro-3-[3-[(2S)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is VHYGIMAOQCVLPU-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-15-14-28(10-11-31-15)20-13-24-21-26-19(6-9-29(20)21)17-12-16(4-5-18(17)23)25-22(30)27-7-2-3-8-27/h4-6,9,12-13,15H,2-3,7-8,10-11,14H2,1H3,(H,25,30)/t15-/m0/s1.
What are the key properties of N-[4-fluoro-3-[3-[(2S)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide?
N-[4-fluoro-3-[3-[(2S)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[3-[(2S)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyrimidin-7-yl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 126571953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).