phenyl N-[2-[2-fluoro-5-(pyrrolidine-1-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate

C24H21FN6O3 — CID 140701375

IUPACphenyl N-[2-[2-fluoro-5-(pyrrolidine-1-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate
SMILESO=C(Nc1cnc2nc(-c3cc(NC(=O)N4CCCC4)ccc3F)cn2c1)Oc1ccccc1
InChIInChI=1S/C24H21FN6O3/c25-20-9-8-16(27-23(32)30-10-4-5-11-30)12-19(20)21-15-31-14-17(13-26-22(31)29-21)28-24(33)34-18-6-2-1-3-7-18/h1-3,6-9,12-15H,4-5,10-11H2,(H,27,32)(H,28,33)
InChIKeyZZRMDCADTIZZEW-UHFFFAOYSA-N
MW460.47 g/mol
LogP4.77
Rot. Bonds4

About phenyl N-[2-[2-fluoro-5-(pyrrolidine-1-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate

phenyl N-[2-[2-fluoro-5-(pyrrolidine-1-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate (PubChem CID 140701375) has the molecular formula C24H21FN6O3 and a molecular weight of 460.47 g/mol. Its IUPAC name is phenyl N-[2-[2-fluoro-5-(pyrrolidine-1-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-[2-fluoro-5-(pyrrolidine-1-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate
PubChem CID140701375
Molecular FormulaC24H21FN6O3
Molecular Weight460.47 g/mol
Exact Mass460.17
IUPAC Namephenyl N-[2-[2-fluoro-5-(pyrrolidine-1-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate
SMILESO=C(Nc1cnc2nc(-c3cc(NC(=O)N4CCCC4)ccc3F)cn2c1)Oc1ccccc1
InChIInChI=1S/C24H21FN6O3/c25-20-9-8-16(27-23(32)30-10-4-5-11-30)12-19(20)21-15-31-14-17(13-26-22(31)29-21)28-24(33)34-18-6-2-1-3-7-18/h1-3,6-9,12-15H,4-5,10-11H2,(H,27,32)(H,28,33)
InChIKeyZZRMDCADTIZZEW-UHFFFAOYSA-N
XLogP4.77
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-fluoro-4-((5-methyl-5H-pyrrolo(3,2-d)pyrimidin-4-yl)oxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 15949613
2-(4-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 9910722
2-Phenoxy-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine
CID 15872388
5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(3-(trifluoromethyl)phenyl)-1H-indole-1-carboxamide
CID 59394429
(5S)-N-[2-(4-fluorophenoxy)pyrimidin-5-yl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 139600336
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenoxyacetamide
CID 6463883
4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-2-(4-methoxy-phenoxy)-pyrimidine
CID 9868139
N-(2-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidin-2-yloxy}-phenyl)-acetamide
CID 9869403
2-(4-Ethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 10321190
(5-(2,6-Difluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11552953
(2-(2-Methoxyphenyl)-7-methyl-5-phenylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11638762
(5-(3-Fluorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11639131

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-[2-fluoro-5-(pyrrolidine-1-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate?
The IUPAC name of phenyl N-[2-[2-fluoro-5-(pyrrolidine-1-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate (CID 140701375) is phenyl N-[2-[2-fluoro-5-(pyrrolidine-1-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate.
What is the SMILES notation for phenyl N-[2-[2-fluoro-5-(pyrrolidine-1-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate?
The canonical SMILES for phenyl N-[2-[2-fluoro-5-(pyrrolidine-1-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate is O=C(Nc1cnc2nc(-c3cc(NC(=O)N4CCCC4)ccc3F)cn2c1)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-[2-fluoro-5-(pyrrolidine-1-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate?
The InChIKey is ZZRMDCADTIZZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O3/c25-20-9-8-16(27-23(32)30-10-4-5-11-30)12-19(20)21-15-31-14-17(13-26-22(31)29-21)28-24(33)34-18-6-2-1-3-7-18/h1-3,6-9,12-15H,4-5,10-11H2,(H,27,32)(H,28,33).
What are the key properties of phenyl N-[2-[2-fluoro-5-(pyrrolidine-1-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate?
phenyl N-[2-[2-fluoro-5-(pyrrolidine-1-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate has a molecular weight of 460.47 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-[2-fluoro-5-(pyrrolidine-1-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate is sourced from PubChem (CID 140701375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).