2-fluoro-4-methyl-5-[4-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]benzamide

C23H22FN7O — CID 176570428

IUPAC2-fluoro-4-methyl-5-[4-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]benzamide
SMILESCc1cc(F)c(C(N)=O)cc1-n1cc(-c2cnc3cnc(C4=CCN(C)CC4)cn23)cn1
InChIInChI=1S/C23H22FN7O/c1-14-7-18(24)17(23(25)32)8-20(14)31-12-16(9-28-31)21-10-27-22-11-26-19(13-30(21)22)15-3-5-29(2)6-4-15/h3,7-13H,4-6H2,1-2H3,(H2,25,32)
InChIKeyKCLKMWLHGWVYOE-UHFFFAOYSA-N
MW431.48 g/mol
LogP2.85
Rot. Bonds4

About 2-fluoro-4-methyl-5-[4-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]benzamide

2-fluoro-4-methyl-5-[4-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]benzamide (PubChem CID 176570428) has the molecular formula C23H22FN7O and a molecular weight of 431.48 g/mol. Its IUPAC name is 2-fluoro-4-methyl-5-[4-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-5-[4-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]benzamide
PubChem CID176570428
Molecular FormulaC23H22FN7O
Molecular Weight431.48 g/mol
Exact Mass431.19
IUPAC Name2-fluoro-4-methyl-5-[4-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]benzamide
SMILESCc1cc(F)c(C(N)=O)cc1-n1cc(-c2cnc3cnc(C4=CCN(C)CC4)cn23)cn1
InChIInChI=1S/C23H22FN7O/c1-14-7-18(24)17(23(25)32)8-20(14)31-12-16(9-28-31)21-10-27-22-11-26-19(13-30(21)22)15-3-5-29(2)6-4-15/h3,7-13H,4-6H2,1-2H3,(H2,25,32)
InChIKeyKCLKMWLHGWVYOE-UHFFFAOYSA-N
XLogP2.85
TPSA94.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-fluoro-4-methyl-5-[4-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]benzamide with MolForge

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Related Compounds

4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 137001359
5-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]pyrazin-2-amine
CID 139409374
5-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine
CID 138668016
3-(1-methylpyrazol-4-yl)-8-methylsulfanylimidazo[1,2-a]pyrazine-6-carboxamide
CID 143461208
N-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]-4-methylbenzamide
CID 176570495
2-fluoro-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 71084294
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitropyridin-4-amine
CID 166162094
5-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 140905207
2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)benzamide
CID 169130860
ethyl 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-fluorobenzoate
CID 22032276
2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 171517278
4-fluoro-2-methyl-5-(4-methyl-6-oxopyridazin-1-yl)benzamide
CID 68604559

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-5-[4-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]benzamide?
The IUPAC name of 2-fluoro-4-methyl-5-[4-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]benzamide (CID 176570428) is 2-fluoro-4-methyl-5-[4-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]benzamide.
What is the SMILES notation for 2-fluoro-4-methyl-5-[4-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]benzamide?
The canonical SMILES for 2-fluoro-4-methyl-5-[4-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]benzamide is Cc1cc(F)c(C(N)=O)cc1-n1cc(-c2cnc3cnc(C4=CCN(C)CC4)cn23)cn1.
What is the InChIKey of 2-fluoro-4-methyl-5-[4-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]benzamide?
The InChIKey is KCLKMWLHGWVYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O/c1-14-7-18(24)17(23(25)32)8-20(14)31-12-16(9-28-31)21-10-27-22-11-26-19(13-30(21)22)15-3-5-29(2)6-4-15/h3,7-13H,4-6H2,1-2H3,(H2,25,32).
What are the key properties of 2-fluoro-4-methyl-5-[4-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]benzamide?
2-fluoro-4-methyl-5-[4-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]benzamide has a molecular weight of 431.48 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-5-[4-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]benzamide is sourced from PubChem (CID 176570428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).