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

C25H24ClFN8 — CID 171349581

IUPACN-(4-chloro-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)cn4c3Nc3ccc(Cl)cc3F)cc12
InChIInChI=1S/C25H24ClFN8/c1-15-18-11-16(3-5-20(18)32-31-15)24-25(29-21-6-4-17(26)12-19(21)27)35-14-23(28-13-22(35)30-24)34-9-7-33(2)8-10-34/h3-6,11-14,29H,7-10H2,1-2H3,(H,31,32)
InChIKeyGKAYDLLMECPHNR-UHFFFAOYSA-N
MW490.97 g/mol
LogP4.87
Rot. Bonds4

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

N-(4-chloro-2-fluorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 171349581) has the molecular formula C25H24ClFN8 and a molecular weight of 490.97 g/mol. Its IUPAC name is N-(4-chloro-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-(4-chloro-2-fluorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID171349581
Molecular FormulaC25H24ClFN8
Molecular Weight490.97 g/mol
Exact Mass490.18
IUPAC NameN-(4-chloro-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)cn4c3Nc3ccc(Cl)cc3F)cc12
InChIInChI=1S/C25H24ClFN8/c1-15-18-11-16(3-5-20(18)32-31-15)24-25(29-21-6-4-17(26)12-19(21)27)35-14-23(28-13-22(35)30-24)34-9-7-33(2)8-10-34/h3-6,11-14,29H,7-10H2,1-2H3,(H,31,32)
InChIKeyGKAYDLLMECPHNR-UHFFFAOYSA-N
XLogP4.87
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.97
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-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-(4-chloro-2-fluorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine (CID 171349581) is N-(4-chloro-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-(4-chloro-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-(4-chloro-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)cn4c3Nc3ccc(Cl)cc3F)cc12.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is GKAYDLLMECPHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN8/c1-15-18-11-16(3-5-20(18)32-31-15)24-25(29-21-6-4-17(26)12-19(21)27)35-14-23(28-13-22(35)30-24)34-9-7-33(2)8-10-34/h3-6,11-14,29H,7-10H2,1-2H3,(H,31,32).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine?
N-(4-chloro-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 490.97 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-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 171349581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).