5-N-[2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide

C21H21FN8O3 — CID 165414898

IUPAC5-N-[2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
SMILESCOCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccnc(F)c3)nc2n1
InChIInChI=1S/C21H21FN8O3/c1-28(8-9-33-3)20(32)14-11-24-29(2)18(14)19(31)26-17-5-7-30-12-15(25-21(30)27-17)13-4-6-23-16(22)10-13/h4-7,10-12H,8-9H2,1-3H3,(H,25,26,27,31)
InChIKeyZJZBWIQCTJKCKR-UHFFFAOYSA-N
MW452.45 g/mol
LogP1.63
Rot. Bonds7

About 5-N-[2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide

5-N-[2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide (PubChem CID 165414898) has the molecular formula C21H21FN8O3 and a molecular weight of 452.45 g/mol. Its IUPAC name is 5-N-[2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
PubChem CID165414898
Molecular FormulaC21H21FN8O3
Molecular Weight452.45 g/mol
Exact Mass452.17
IUPAC Name5-N-[2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
SMILESCOCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccnc(F)c3)nc2n1
InChIInChI=1S/C21H21FN8O3/c1-28(8-9-33-3)20(32)14-11-24-29(2)18(14)19(31)26-17-5-7-30-12-15(25-21(30)27-17)13-4-6-23-16(22)10-13/h4-7,10-12H,8-9H2,1-3H3,(H,25,26,27,31)
InChIKeyZJZBWIQCTJKCKR-UHFFFAOYSA-N
XLogP1.63
TPSA119.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.45
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-N-[2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide with MolForge

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Related Compounds

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Tuvusertib
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N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
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1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
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GSK-3|A inhibitor 13
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(6~{r})-5-(2-Methoxyethyl)-6-Methyl-2-[5-Methyl-2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480563
(6~{s})-5-(2-Methoxyethyl)-6-Methyl-2-[5-Methyl-2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480564
7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide?
The IUPAC name of 5-N-[2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide (CID 165414898) is 5-N-[2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-[2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-[2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide is COCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccnc(F)c3)nc2n1.
What is the InChIKey of 5-N-[2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide?
The InChIKey is ZJZBWIQCTJKCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN8O3/c1-28(8-9-33-3)20(32)14-11-24-29(2)18(14)19(31)26-17-5-7-30-12-15(25-21(30)27-17)13-4-6-23-16(22)10-13/h4-7,10-12H,8-9H2,1-3H3,(H,25,26,27,31).
What are the key properties of 5-N-[2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide?
5-N-[2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide has a molecular weight of 452.45 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide is sourced from PubChem (CID 165414898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).