ethane;2-ethyl-4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylindazol-3-amine

C23H29F2N7 — CID 176566098

IUPACethane;2-ethyl-4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylindazol-3-amine
SMILESCC.CCn1nc2cc(N3CCNCC3)cc(F)c2c1Nc1cc(F)c2nc(C)cn2c1
InChIInChI=1S/C21H23F2N7.C2H6/c1-3-30-21(26-14-8-17(23)20-25-13(2)11-29(20)12-14)19-16(22)9-15(10-18(19)27-30)28-6-4-24-5-7-28;1-2/h8-12,24,26H,3-7H2,1-2H3;1-2H3
InChIKeyLBUQBCXABORXBA-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.47
Rot. Bonds4

About ethane;2-ethyl-4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylindazol-3-amine

ethane;2-ethyl-4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylindazol-3-amine (PubChem CID 176566098) has the molecular formula C23H29F2N7 and a molecular weight of 441.53 g/mol. Its IUPAC name is ethane;2-ethyl-4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylindazol-3-amine.

Molecular Properties

Compound Nameethane;2-ethyl-4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylindazol-3-amine
PubChem CID176566098
Molecular FormulaC23H29F2N7
Molecular Weight441.53 g/mol
Exact Mass441.25
IUPAC Nameethane;2-ethyl-4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylindazol-3-amine
SMILESCC.CCn1nc2cc(N3CCNCC3)cc(F)c2c1Nc1cc(F)c2nc(C)cn2c1
InChIInChI=1S/C21H23F2N7.C2H6/c1-3-30-21(26-14-8-17(23)20-25-13(2)11-29(20)12-14)19-16(22)9-15(10-18(19)27-30)28-6-4-24-5-7-28;1-2/h8-12,24,26H,3-7H2,1-2H3;1-2H3
InChIKeyLBUQBCXABORXBA-UHFFFAOYSA-N
XLogP4.47
TPSA62.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylphthalazin-1-amine
CID 176567350
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
3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylquinazolin-4-one
CID 156889009
2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylindazole-7-carboxamide;propane
CID 167500912
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
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-yl-2-propylindazole-7-carboxamide
CID 167500977
5-dimethylphosphoryl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine
CID 176565939
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
ethane;N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methoxypropyl)-4-piperazin-1-ylindazole-7-carboxamide
CID 167502185
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-yl-2H-benzotriazole-4-carboxamide
CID 167501514
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(2R)-2-methoxypropyl]-4-piperazin-1-ylindazole-7-carboxamide
CID 167500934

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylindazol-3-amine?
The IUPAC name of ethane;2-ethyl-4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylindazol-3-amine (CID 176566098) is ethane;2-ethyl-4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylindazol-3-amine.
What is the SMILES notation for ethane;2-ethyl-4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylindazol-3-amine?
The canonical SMILES for ethane;2-ethyl-4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylindazol-3-amine is CC.CCn1nc2cc(N3CCNCC3)cc(F)c2c1Nc1cc(F)c2nc(C)cn2c1.
What is the InChIKey of ethane;2-ethyl-4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylindazol-3-amine?
The InChIKey is LBUQBCXABORXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N7.C2H6/c1-3-30-21(26-14-8-17(23)20-25-13(2)11-29(20)12-14)19-16(22)9-15(10-18(19)27-30)28-6-4-24-5-7-28;1-2/h8-12,24,26H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethyl-4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylindazol-3-amine?
ethane;2-ethyl-4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylindazol-3-amine has a molecular weight of 441.53 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylindazol-3-amine is sourced from PubChem (CID 176566098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).