1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]ethanone

C23H21FN6O3 — CID 58446965

IUPAC1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]ethanone
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Cc1ccn2cc(-c3cccc(OCF)c3)nc2n1
InChIInChI=1S/C23H21FN6O3/c1-28-21(18(12-25-28)22(32)29-7-3-8-29)20(31)11-16-6-9-30-13-19(27-23(30)26-16)15-4-2-5-17(10-15)33-14-24/h2,4-6,9-10,12-13H,3,7-8,11,14H2,1H3
InChIKeyHHDOLHVTAODLOL-UHFFFAOYSA-N
MW448.46 g/mol
LogP2.71
Rot. Bonds7

About 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]ethanone

1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]ethanone (PubChem CID 58446965) has the molecular formula C23H21FN6O3 and a molecular weight of 448.46 g/mol. Its IUPAC name is 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]ethanone.

Molecular Properties

Compound Name1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]ethanone
PubChem CID58446965
Molecular FormulaC23H21FN6O3
Molecular Weight448.46 g/mol
Exact Mass448.17
IUPAC Name1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]ethanone
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Cc1ccn2cc(-c3cccc(OCF)c3)nc2n1
InChIInChI=1S/C23H21FN6O3/c1-28-21(18(12-25-28)22(32)29-7-3-8-29)20(31)11-16-6-9-30-13-19(27-23(30)26-16)15-4-2-5-17(10-15)33-14-24/h2,4-6,9-10,12-13H,3,7-8,11,14H2,1H3
InChIKeyHHDOLHVTAODLOL-UHFFFAOYSA-N
XLogP2.71
TPSA94.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(azetidine-1-carbonyl)-N-[2-[3-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57378843
4-(azetidine-1-carbonyl)-N-[2-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57378844
4-(Azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid {2-[2-(2-fluoro-ethoxy)-phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl}-amide
CID 86666030
Mbm-55
CID 137636872
4-(azetidine-1-carbonyl)-N-[2-[2-(3-fluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414845
5-N-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 53468453
4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 53468648
4-(azetidine-1-carbonyl)-N-[2-[4-(3-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288529
4-(azetidine-1-carbonyl)-N-[2-[4-(2-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288530
5-N-[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 87381454
4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 87381553
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 57378494

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]ethanone?
The IUPAC name of 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]ethanone (CID 58446965) is 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]ethanone.
What is the SMILES notation for 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]ethanone?
The canonical SMILES for 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]ethanone is Cn1ncc(C(=O)N2CCC2)c1C(=O)Cc1ccn2cc(-c3cccc(OCF)c3)nc2n1.
What is the InChIKey of 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]ethanone?
The InChIKey is HHDOLHVTAODLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O3/c1-28-21(18(12-25-28)22(32)29-7-3-8-29)20(31)11-16-6-9-30-13-19(27-23(30)26-16)15-4-2-5-17(10-15)33-14-24/h2,4-6,9-10,12-13H,3,7-8,11,14H2,1H3.
What are the key properties of 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]ethanone?
1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]ethanone has a molecular weight of 448.46 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 58446965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).