5-dimethylphosphoryl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine

C21H25FN7OP — CID 176565939

IUPAC5-dimethylphosphoryl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine
SMILESCc1cn2cc(Nc3n[nH]c4cc(N5CCNCC5)c(P(C)(C)=O)cc34)cc(F)c2n1
InChIInChI=1S/C21H25FN7OP/c1-13-11-29-12-14(8-16(22)21(29)24-13)25-20-15-9-19(31(2,3)30)18(10-17(15)26-27-20)28-6-4-23-5-7-28/h8-12,23H,4-7H2,1-3H3,(H2,25,26,27)
InChIKeyJWORAAKYXYXQBV-UHFFFAOYSA-N
MW441.45 g/mol
LogP3.06
Rot. Bonds4

About 5-dimethylphosphoryl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine

5-dimethylphosphoryl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine (PubChem CID 176565939) has the molecular formula C21H25FN7OP and a molecular weight of 441.45 g/mol. Its IUPAC name is 5-dimethylphosphoryl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine.

Molecular Properties

Compound Name5-dimethylphosphoryl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine
PubChem CID176565939
Molecular FormulaC21H25FN7OP
Molecular Weight441.45 g/mol
Exact Mass441.18
IUPAC Name5-dimethylphosphoryl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine
SMILESCc1cn2cc(Nc3n[nH]c4cc(N5CCNCC5)c(P(C)(C)=O)cc34)cc(F)c2n1
InChIInChI=1S/C21H25FN7OP/c1-13-11-29-12-14(8-16(22)21(29)24-13)25-20-15-9-19(31(2,3)30)18(10-17(15)26-27-20)28-6-4-23-5-7-28/h8-12,23H,4-7H2,1-3H3,(H2,25,26,27)
InChIKeyJWORAAKYXYXQBV-UHFFFAOYSA-N
XLogP3.06
TPSA90.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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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
8-fluoro-2-methyl-N-(6-piperidin-4-yl-1H-indazol-3-yl)imidazo[1,2-a]pyridin-6-amine
CID 176566276
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)-7-piperazin-1-yl-2H-benzotriazole-4-carboxamide
CID 167501514
2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylindazole-7-carboxamide;propane
CID 167500912
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)-4-piperazin-1-yl-2-propylindazole-7-carboxamide
CID 167500977
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-hydroxy-2-methylidenebutyl)-4-piperazin-1-ylindazole-7-carboxamide
CID 167501784
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
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(2R)-2-methoxypropyl]-4-piperazin-1-ylindazole-7-carboxamide
CID 167500934
2,5-difluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide
CID 90468665
ethane;N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methoxypropyl)-4-piperazin-1-ylindazole-7-carboxamide
CID 167502185

Frequently Asked Questions

What is the IUPAC name of 5-dimethylphosphoryl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine?
The IUPAC name of 5-dimethylphosphoryl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine (CID 176565939) is 5-dimethylphosphoryl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine.
What is the SMILES notation for 5-dimethylphosphoryl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine?
The canonical SMILES for 5-dimethylphosphoryl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine is Cc1cn2cc(Nc3n[nH]c4cc(N5CCNCC5)c(P(C)(C)=O)cc34)cc(F)c2n1.
What is the InChIKey of 5-dimethylphosphoryl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine?
The InChIKey is JWORAAKYXYXQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN7OP/c1-13-11-29-12-14(8-16(22)21(29)24-13)25-20-15-9-19(31(2,3)30)18(10-17(15)26-27-20)28-6-4-23-5-7-28/h8-12,23H,4-7H2,1-3H3,(H2,25,26,27).
What are the key properties of 5-dimethylphosphoryl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine?
5-dimethylphosphoryl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine has a molecular weight of 441.45 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dimethylphosphoryl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine is sourced from PubChem (CID 176565939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).