8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylphthalazin-1-amine

C20H19F2N7 — CID 176567350

IUPAC8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylphthalazin-1-amine
SMILESCc1cn2cc(Nc3nncc4cc(N5CCNCC5)cc(F)c34)cc(F)c2n1
InChIInChI=1S/C20H19F2N7/c1-12-10-29-11-14(7-17(22)20(29)25-12)26-19-18-13(9-24-27-19)6-15(8-16(18)21)28-4-2-23-3-5-28/h6-11,23H,2-5H2,1H3,(H,26,27)
InChIKeyUMVJZZUGKCBNLV-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.02
Rot. Bonds3

About 8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylphthalazin-1-amine

8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylphthalazin-1-amine (PubChem CID 176567350) has the molecular formula C20H19F2N7 and a molecular weight of 395.42 g/mol. Its IUPAC name is 8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylphthalazin-1-amine.

Molecular Properties

Compound Name8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylphthalazin-1-amine
PubChem CID176567350
Molecular FormulaC20H19F2N7
Molecular Weight395.42 g/mol
Exact Mass395.17
IUPAC Name8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylphthalazin-1-amine
SMILESCc1cn2cc(Nc3nncc4cc(N5CCNCC5)cc(F)c34)cc(F)c2n1
InChIInChI=1S/C20H19F2N7/c1-12-10-29-11-14(7-17(22)20(29)25-12)26-19-18-13(9-24-27-19)6-15(8-16(18)21)28-4-2-23-3-5-28/h6-11,23H,2-5H2,1H3,(H,26,27)
InChIKeyUMVJZZUGKCBNLV-UHFFFAOYSA-N
XLogP3.02
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylphthalazin-1-amine with MolForge

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Related Compounds

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 176566986
ethane;2-ethyl-4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylindazol-3-amine
CID 176566098
4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-pyrrolidin-1-yl-1,2-benzothiazol-3-amine;methanamine
CID 176566849
ethane;8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-ylisoquinolin-1-amine
CID 176567438
5-dimethylphosphoryl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine
CID 176565939
3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylquinazolin-4-one
CID 156889009
4-chloro-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1,8-naphthyridine
CID 168979090
N-(4-chloro-6-piperazin-1-yl-1H-indazol-3-yl)-8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 176566106
8-fluoro-2-methyl-N-(6-piperidin-4-yl-1H-indazol-3-yl)imidazo[1,2-a]pyridin-6-amine
CID 176566276
2-amino-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzenecarboximidamide
CID 176567133
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-8-piperazin-1-ylquinoxaline-5-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 167500340
2-amino-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzenecarboximidamide;ethane
CID 176567132

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylphthalazin-1-amine?
The IUPAC name of 8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylphthalazin-1-amine (CID 176567350) is 8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylphthalazin-1-amine.
What is the SMILES notation for 8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylphthalazin-1-amine?
The canonical SMILES for 8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylphthalazin-1-amine is Cc1cn2cc(Nc3nncc4cc(N5CCNCC5)cc(F)c34)cc(F)c2n1.
What is the InChIKey of 8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylphthalazin-1-amine?
The InChIKey is UMVJZZUGKCBNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N7/c1-12-10-29-11-14(7-17(22)20(29)25-12)26-19-18-13(9-24-27-19)6-15(8-16(18)21)28-4-2-23-3-5-28/h6-11,23H,2-5H2,1H3,(H,26,27).
What are the key properties of 8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylphthalazin-1-amine?
8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylphthalazin-1-amine has a molecular weight of 395.42 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylphthalazin-1-amine is sourced from PubChem (CID 176567350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).