N-[3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide

C22H18FN5O3 — CID 118875214

IUPACN-[3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(F)c(-c3cn4cc(C5=CCOCC5)cnc4n3)c2)o1
InChIInChI=1S/C22H18FN5O3/c1-13-24-10-20(31-13)21(29)26-16-2-3-18(23)17(8-16)19-12-28-11-15(9-25-22(28)27-19)14-4-6-30-7-5-14/h2-4,8-12H,5-7H2,1H3,(H,26,29)
InChIKeyHWJCLDYTYABCRZ-UHFFFAOYSA-N
MW419.42 g/mol
LogP3.89
Rot. Bonds4

About N-[3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide

N-[3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide (PubChem CID 118875214) has the molecular formula C22H18FN5O3 and a molecular weight of 419.42 g/mol. Its IUPAC name is N-[3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide
PubChem CID118875214
Molecular FormulaC22H18FN5O3
Molecular Weight419.42 g/mol
Exact Mass419.14
IUPAC NameN-[3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(F)c(-c3cn4cc(C5=CCOCC5)cnc4n3)c2)o1
InChIInChI=1S/C22H18FN5O3/c1-13-24-10-20(31-13)21(29)26-16-2-3-18(23)17(8-16)19-12-28-11-15(9-25-22(28)27-19)14-4-6-30-7-5-14/h2-4,8-12H,5-7H2,1H3,(H,26,29)
InChIKeyHWJCLDYTYABCRZ-UHFFFAOYSA-N
XLogP3.89
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

acetaldehyde;3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluoro-N-methylaniline
CID 144718161
N-[4-fluoro-3-[6-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 118875238
N-[4-fluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2-methyl-1,3-oxazole-5-carboxamide
CID 118162622
N-[4-fluoro-3-[6-[(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)amino]imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 86296181
4-fluoro-N-methyl-3-[6-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyrimidin-2-yl]aniline
CID 144718037
N-[4-fluoro-3-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 118162651
propan-2-yl N-[2-[2-fluoro-5-(1,3-thiazole-5-carbonylamino)phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate
CID 86295754
propan-2-yl N-[2-[2-fluoro-5-[(3-hydroxyazetidine-1-carbonyl)amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate
CID 118875171
tert-butyl 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]piperidine-1-carboxylate;N-[4-fluoro-3-(6-piperidin-4-ylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 158825973
3-fluoro-N-[4-fluoro-3-[6-(propan-2-ylamino)imidazo[1,2-a]pyrimidin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 123265101
N-[3-[6-(cyclopentanecarbonylamino)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
CID 159449093
N-[4-fluoro-3-[6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,2-dimethyl-5H-1,3-oxazole-5-carboxamide
CID 123695711

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide (CID 118875214) is N-[3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide is Cc1ncc(C(=O)Nc2ccc(F)c(-c3cn4cc(C5=CCOCC5)cnc4n3)c2)o1.
What is the InChIKey of N-[3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is HWJCLDYTYABCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O3/c1-13-24-10-20(31-13)21(29)26-16-2-3-18(23)17(8-16)19-12-28-11-15(9-25-22(28)27-19)14-4-6-30-7-5-14/h2-4,8-12H,5-7H2,1H3,(H,26,29).
What are the key properties of N-[3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide?
N-[3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 419.42 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 118875214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).