[4-[8-amino-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone

C34H27F2N7O3 — CID 137372658

IUPAC[4-[8-amino-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3cn4c(-c5cc(F)c6ncccc6c5)c(-c5cccc(F)c5)nc(N)c4n3)CC2)cc1
InChIInChI=1S/C34H27F2N7O3/c1-46-25-9-7-20(8-10-25)33(44)41-12-14-42(15-13-41)34(45)27-19-43-30(23-16-21-5-3-11-38-28(21)26(36)18-23)29(40-31(37)32(43)39-27)22-4-2-6-24(35)17-22/h2-11,16-19H,12-15H2,1H3,(H2,37,40)
InChIKeyYEHGFSBQBLMUBI-UHFFFAOYSA-N
MW619.63 g/mol
LogP5.08
Rot. Bonds5

About [4-[8-amino-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone

[4-[8-amino-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 137372658) has the molecular formula C34H27F2N7O3 and a molecular weight of 619.63 g/mol. Its IUPAC name is [4-[8-amino-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[8-amino-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID137372658
Molecular FormulaC34H27F2N7O3
Molecular Weight619.63 g/mol
Exact Mass619.21
IUPAC Name[4-[8-amino-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3cn4c(-c5cc(F)c6ncccc6c5)c(-c5cccc(F)c5)nc(N)c4n3)CC2)cc1
InChIInChI=1S/C34H27F2N7O3/c1-46-25-9-7-20(8-10-25)33(44)41-12-14-42(15-13-41)34(45)27-19-43-30(23-16-21-5-3-11-38-28(21)26(36)18-23)29(40-31(37)32(43)39-27)22-4-2-6-24(35)17-22/h2-11,16-19H,12-15H2,1H3,(H2,37,40)
InChIKeyYEHGFSBQBLMUBI-UHFFFAOYSA-N
XLogP5.08
TPSA118.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.63
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-[8-amino-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[8-amino-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-[8-amino-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 137372658) is [4-[8-amino-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-[8-amino-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-[8-amino-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(C(=O)c3cn4c(-c5cc(F)c6ncccc6c5)c(-c5cccc(F)c5)nc(N)c4n3)CC2)cc1.
What is the InChIKey of [4-[8-amino-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is YEHGFSBQBLMUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27F2N7O3/c1-46-25-9-7-20(8-10-25)33(44)41-12-14-42(15-13-41)34(45)27-19-43-30(23-16-21-5-3-11-38-28(21)26(36)18-23)29(40-31(37)32(43)39-27)22-4-2-6-24(35)17-22/h2-11,16-19H,12-15H2,1H3,(H2,37,40).
What are the key properties of [4-[8-amino-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-[8-amino-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 619.63 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[8-amino-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 137372658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).