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

C18H18ClFN8 — CID 176566106

IUPACN-(4-chloro-6-piperazin-1-yl-1H-indazol-3-yl)-8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCc1nc2c(F)cc(Nc3n[nH]c4cc(N5CCNCC5)cc(Cl)c34)cn2n1
InChIInChI=1S/C18H18ClFN8/c1-10-22-18-14(20)6-11(9-28(18)26-10)23-17-16-13(19)7-12(8-15(16)24-25-17)27-4-2-21-3-5-27/h6-9,21H,2-5H2,1H3,(H2,23,24,25)
InChIKeyVFJWYNKZQLJWCE-UHFFFAOYSA-N
MW400.85 g/mol
LogP2.86
Rot. Bonds3

About 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

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 (PubChem CID 176566106) has the molecular formula C18H18ClFN8 and a molecular weight of 400.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(4-chloro-6-piperazin-1-yl-1H-indazol-3-yl)-8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID176566106
Molecular FormulaC18H18ClFN8
Molecular Weight400.85 g/mol
Exact Mass400.13
IUPAC NameN-(4-chloro-6-piperazin-1-yl-1H-indazol-3-yl)-8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCc1nc2c(F)cc(Nc3n[nH]c4cc(N5CCNCC5)cc(Cl)c34)cn2n1
InChIInChI=1S/C18H18ClFN8/c1-10-22-18-14(20)6-11(9-28(18)26-10)23-17-16-13(19)7-12(8-15(16)24-25-17)27-4-2-21-3-5-27/h6-9,21H,2-5H2,1H3,(H2,23,24,25)
InChIKeyVFJWYNKZQLJWCE-UHFFFAOYSA-N
XLogP2.86
TPSA86.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.85
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
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
4-chloro-N-(7-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine
CID 176566489
N-[4-chloro-6-[(3S,5R)-3-[4-[[3-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)amino]-6-piperazin-1-yl-1H-indazol-4-yl]sulfanylmethyl]phenyl]-5-methylpiperazin-1-yl]-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
CID 176566943
[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
N-[4-chloro-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
CID 176567106
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
4-chloro-N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-amine
CID 176566176
ethane;2-ethyl-4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylindazol-3-amine
CID 176566098
8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylphthalazin-1-amine
CID 176567350
5-dimethylphosphoryl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine
CID 176565939

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2c(F)cc(Nc3n[nH]c4cc(N5CCNCC5)cc(Cl)c34)cn2n1.
What is the InChIKey of 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?
The InChIKey is VFJWYNKZQLJWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN8/c1-10-22-18-14(20)6-11(9-28(18)26-10)23-17-16-13(19)7-12(8-15(16)24-25-17)27-4-2-21-3-5-27/h6-9,21H,2-5H2,1H3,(H2,23,24,25).
What are the key properties of 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?
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 has a molecular weight of 400.85 g/mol, XLogP of 2.86, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176566106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).