2-amino-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzenecarboximidamide;ethane

C23H34FN7 — CID 176567132

IUPAC2-amino-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzenecarboximidamide;ethane
SMILESCC.CC.Cc1cn2cc(/N=C(\N)c3ccc(N4CCNCC4)cc3N)cc(F)c2n1
InChIInChI=1S/C19H22FN7.2C2H6/c1-12-10-27-11-13(8-16(20)19(27)24-12)25-18(22)15-3-2-14(9-17(15)21)26-6-4-23-5-7-26;2*1-2/h2-3,8-11,23H,4-7,21H2,1H3,(H2,22,25);2*1-2H3
InChIKeyNBSIVRPLJOVHSL-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.86
Rot. Bonds3

About 2-amino-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzenecarboximidamide;ethane

2-amino-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzenecarboximidamide;ethane (PubChem CID 176567132) has the molecular formula C23H34FN7 and a molecular weight of 427.57 g/mol. Its IUPAC name is 2-amino-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzenecarboximidamide;ethane.

Molecular Properties

Compound Name2-amino-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzenecarboximidamide;ethane
PubChem CID176567132
Molecular FormulaC23H34FN7
Molecular Weight427.57 g/mol
Exact Mass427.29
IUPAC Name2-amino-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzenecarboximidamide;ethane
SMILESCC.CC.Cc1cn2cc(/N=C(\N)c3ccc(N4CCNCC4)cc3N)cc(F)c2n1
InChIInChI=1S/C19H22FN7.2C2H6/c1-12-10-27-11-13(8-16(20)19(27)24-12)25-18(22)15-3-2-14(9-17(15)21)26-6-4-23-5-7-26;2*1-2/h2-3,8-11,23H,4-7,21H2,1H3,(H2,22,25);2*1-2H3
InChIKeyNBSIVRPLJOVHSL-UHFFFAOYSA-N
XLogP3.86
TPSA96.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzenecarboximidamide
CID 176567133
3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylquinazolin-4-one
CID 156889009
2-amino-3-(2,2-difluoropropyliminomethyl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzamide
CID 176741587
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-yl-2H-benzotriazole-4-carboxamide
CID 167501514
8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylphthalazin-1-amine
CID 176567350
4-(3,5-dimethylpiperazin-1-yl)-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-(methylamino)benzenecarboximidamide
CID 176566370
1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)but-1-enyl]imino-5-piperazin-1-yl-1-pyridinyl]ethanone
CID 168888256
ethane;2-ethyl-4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylindazol-3-amine
CID 176566098
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
2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylindazole-7-carboxamide;propane
CID 167500912
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-yl-2-propylindazole-7-carboxamide
CID 167500977
4-chloro-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1,8-naphthyridine
CID 168979090

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzenecarboximidamide;ethane?
The IUPAC name of 2-amino-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzenecarboximidamide;ethane (CID 176567132) is 2-amino-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzenecarboximidamide;ethane.
What is the SMILES notation for 2-amino-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzenecarboximidamide;ethane?
The canonical SMILES for 2-amino-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzenecarboximidamide;ethane is CC.CC.Cc1cn2cc(/N=C(\N)c3ccc(N4CCNCC4)cc3N)cc(F)c2n1.
What is the InChIKey of 2-amino-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzenecarboximidamide;ethane?
The InChIKey is NBSIVRPLJOVHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7.2C2H6/c1-12-10-27-11-13(8-16(20)19(27)24-12)25-18(22)15-3-2-14(9-17(15)21)26-6-4-23-5-7-26;2*1-2/h2-3,8-11,23H,4-7,21H2,1H3,(H2,22,25);2*1-2H3.
What are the key properties of 2-amino-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzenecarboximidamide;ethane?
2-amino-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzenecarboximidamide;ethane has a molecular weight of 427.57 g/mol, XLogP of 3.86, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylbenzenecarboximidamide;ethane is sourced from PubChem (CID 176567132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).