[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

C24H26ClFN8O — CID 176566032

IUPAC[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
SMILESCc1nc2c(F)cc(Nc3nn(C(=O)C4CC4)c4cc(N5C[C@H](C)N[C@@H](C)C5)cc(Cl)c34)cn2n1
InChIInChI=1S/C24H26ClFN8O/c1-12-9-32(10-13(2)27-12)17-7-18(25)21-20(8-17)34(24(35)15-4-5-15)31-22(21)29-16-6-19(26)23-28-14(3)30-33(23)11-16/h6-8,11-13,15,27H,4-5,9-10H2,1-3H3,(H,29,31)/t12-,13-/m0/s1
InChIKeyAQGSEBZDYHHGNZ-STQMWFEESA-N
MW496.98 g/mol
LogP4.16
Rot. Bonds4

About [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

[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 (PubChem CID 176566032) has the molecular formula C24H26ClFN8O and a molecular weight of 496.98 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID176566032
Molecular FormulaC24H26ClFN8O
Molecular Weight496.98 g/mol
Exact Mass496.19
IUPAC Name[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
SMILESCc1nc2c(F)cc(Nc3nn(C(=O)C4CC4)c4cc(N5C[C@H](C)N[C@@H](C)C5)cc(Cl)c34)cn2n1
InChIInChI=1S/C24H26ClFN8O/c1-12-9-32(10-13(2)27-12)17-7-18(25)21-20(8-17)34(24(35)15-4-5-15)31-22(21)29-16-6-19(26)23-28-14(3)30-33(23)11-16/h6-8,11-13,15,27H,4-5,9-10H2,1-3H3,(H,29,31)/t12-,13-/m0/s1
InChIKeyAQGSEBZDYHHGNZ-STQMWFEESA-N
XLogP4.16
TPSA92.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.98
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1nc2c(F)cc(Nc3nn(C(=O)C4CC4)c4cc(N5C[C@H](C)N[C@@H](C)C5)cc(Cl)c34)cn2n1.
What is the InChIKey of [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?
The InChIKey is AQGSEBZDYHHGNZ-STQMWFEESA-N. The full InChI is InChI=1S/C24H26ClFN8O/c1-12-9-32(10-13(2)27-12)17-7-18(25)21-20(8-17)34(24(35)15-4-5-15)31-22(21)29-16-6-19(26)23-28-14(3)30-33(23)11-16/h6-8,11-13,15,27H,4-5,9-10H2,1-3H3,(H,29,31)/t12-,13-/m0/s1.
What are the key properties of [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?
[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 has a molecular weight of 496.98 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 176566032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).