1-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-fluoro-3-[(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]indazol-1-yl]propan-1-one

C23H26F2N8O — CID 176566366

IUPAC1-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-fluoro-3-[(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]indazol-1-yl]propan-1-one
SMILESCCC(=O)n1nc(Nc2cc(F)c3nc(C)nn3c2)c2c(F)cc(N3C[C@H](C)N[C@@H](C)C3)cc21
InChIInChI=1S/C23H26F2N8O/c1-5-20(34)33-19-8-16(31-9-12(2)26-13(3)10-31)7-17(24)21(19)22(30-33)28-15-6-18(25)23-27-14(4)29-32(23)11-15/h6-8,11-13,26H,5,9-10H2,1-4H3,(H,28,30)/t12-,13-/m0/s1
InChIKeyGQLSOFWUJLJPHR-STQMWFEESA-N
MW468.51 g/mol
LogP3.65
Rot. Bonds4

About 1-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-fluoro-3-[(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]indazol-1-yl]propan-1-one

1-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-fluoro-3-[(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]indazol-1-yl]propan-1-one (PubChem CID 176566366) has the molecular formula C23H26F2N8O and a molecular weight of 468.51 g/mol. Its IUPAC name is 1-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-fluoro-3-[(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]indazol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-fluoro-3-[(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]indazol-1-yl]propan-1-one
PubChem CID176566366
Molecular FormulaC23H26F2N8O
Molecular Weight468.51 g/mol
Exact Mass468.22
IUPAC Name1-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-fluoro-3-[(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]indazol-1-yl]propan-1-one
SMILESCCC(=O)n1nc(Nc2cc(F)c3nc(C)nn3c2)c2c(F)cc(N3C[C@H](C)N[C@@H](C)C3)cc21
InChIInChI=1S/C23H26F2N8O/c1-5-20(34)33-19-8-16(31-9-12(2)26-13(3)10-31)7-17(24)21(19)22(30-33)28-15-6-18(25)23-27-14(4)29-32(23)11-15/h6-8,11-13,26H,5,9-10H2,1-4H3,(H,28,30)/t12-,13-/m0/s1
InChIKeyGQLSOFWUJLJPHR-STQMWFEESA-N
XLogP3.65
TPSA92.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-fluoro-3-[(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]indazol-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-[(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]indazol-1-yl]-cyclopropylmethanone
CID 176566032
7-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-5-fluoro-N-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinazolin-4-amine
CID 176567253
N-[4-chloro-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 176566800
5-chloro-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinazolin-4-amine
CID 176567375
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-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-fluoro-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
CID 176566226
methyl N-[3-cyano-5-(3,5-dimethylpiperazin-1-yl)-2-[N'-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamimidoyl]phenyl]carbamate
CID 176566949
4-chloro-1-(cyclopropylmethyl)-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)indazol-3-amine
CID 176565979
N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-fluorocinnolin-4-amine
CID 176567363
2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-8-fluoroquinazoline
CID 177078818
tert-butyl (2S,6R)-4-[4-chloro-3-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)amino]-1-methylindazol-6-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 176566502
5-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)quinazolin-4-amine
CID 176567187

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-fluoro-3-[(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]indazol-1-yl]propan-1-one?
The IUPAC name of 1-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-fluoro-3-[(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]indazol-1-yl]propan-1-one (CID 176566366) is 1-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-fluoro-3-[(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]indazol-1-yl]propan-1-one.
What is the SMILES notation for 1-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-fluoro-3-[(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]indazol-1-yl]propan-1-one?
The canonical SMILES for 1-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-fluoro-3-[(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]indazol-1-yl]propan-1-one is CCC(=O)n1nc(Nc2cc(F)c3nc(C)nn3c2)c2c(F)cc(N3C[C@H](C)N[C@@H](C)C3)cc21.
What is the InChIKey of 1-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-fluoro-3-[(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]indazol-1-yl]propan-1-one?
The InChIKey is GQLSOFWUJLJPHR-STQMWFEESA-N. The full InChI is InChI=1S/C23H26F2N8O/c1-5-20(34)33-19-8-16(31-9-12(2)26-13(3)10-31)7-17(24)21(19)22(30-33)28-15-6-18(25)23-27-14(4)29-32(23)11-15/h6-8,11-13,26H,5,9-10H2,1-4H3,(H,28,30)/t12-,13-/m0/s1.
What are the key properties of 1-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-fluoro-3-[(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]indazol-1-yl]propan-1-one?
1-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-fluoro-3-[(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]indazol-1-yl]propan-1-one has a molecular weight of 468.51 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-fluoro-3-[(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]indazol-1-yl]propan-1-one is sourced from PubChem (CID 176566366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).