N-(2-fluorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine

C25H25FN8 — CID 171358164

IUPACN-(2-fluorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine
SMILESCc1[nH]nc2ccc(-c3nc4cnc(N5CCN(C)CC5)cn4c3Nc3ccccc3F)cc12
InChIInChI=1S/C25H25FN8/c1-16-18-13-17(7-8-20(18)31-30-16)24-25(28-21-6-4-3-5-19(21)26)34-15-23(27-14-22(34)29-24)33-11-9-32(2)10-12-33/h3-8,13-15,28H,9-12H2,1-2H3,(H,30,31)
InChIKeyBYPYSOJRWPGJIK-UHFFFAOYSA-N
MW456.53 g/mol
LogP4.22
Rot. Bonds4

About N-(2-fluorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine

N-(2-fluorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 171358164) has the molecular formula C25H25FN8 and a molecular weight of 456.53 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID171358164
Molecular FormulaC25H25FN8
Molecular Weight456.53 g/mol
Exact Mass456.22
IUPAC NameN-(2-fluorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine
SMILESCc1[nH]nc2ccc(-c3nc4cnc(N5CCN(C)CC5)cn4c3Nc3ccccc3F)cc12
InChIInChI=1S/C25H25FN8/c1-16-18-13-17(7-8-20(18)31-30-16)24-25(28-21-6-4-3-5-19(21)26)34-15-23(27-14-22(34)29-24)33-11-9-32(2)10-12-33/h3-8,13-15,28H,9-12H2,1-2H3,(H,30,31)
InChIKeyBYPYSOJRWPGJIK-UHFFFAOYSA-N
XLogP4.22
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dichlorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine
CID 171348264
3-methyl-5-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-2H-pyrazolo[3,4-c]pyridine
CID 163233886
2-[4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanol
CID 143269918
6-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
CID 11640212
5-[5-[(3S)-3-benzyl-4-methylpiperazin-1-yl]-1,2,4-triazin-3-yl]-3-methyl-2H-indazole
CID 11639917
6-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyrimidin-4-amine
CID 112858117
3-(2-fluorophenyl)-1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
CID 67091846
5-[5-(3,3-dibenzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-methyl-2H-indazole
CID 11670098
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 112857944
5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
CID 24872598
3-methyl-5-[5-(3-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-2H-indazole
CID 91521289
4-(2-fluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidine
CID 24715570

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of N-(2-fluorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine (CID 171358164) is N-(2-fluorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for N-(2-fluorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for N-(2-fluorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine is Cc1[nH]nc2ccc(-c3nc4cnc(N5CCN(C)CC5)cn4c3Nc3ccccc3F)cc12.
What is the InChIKey of N-(2-fluorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is BYPYSOJRWPGJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN8/c1-16-18-13-17(7-8-20(18)31-30-16)24-25(28-21-6-4-3-5-19(21)26)34-15-23(27-14-22(34)29-24)33-11-9-32(2)10-12-33/h3-8,13-15,28H,9-12H2,1-2H3,(H,30,31).
What are the key properties of N-(2-fluorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine?
N-(2-fluorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 456.53 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 171358164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).