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

C20H22ClFN8 — CID 176566800

IUPACN-[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
SMILESCc1nc2c(F)cc(Nc3n[nH]c4cc(N5C[C@@H](C)N[C@H](C)C5)cc(Cl)c34)cn2n1
InChIInChI=1S/C20H22ClFN8/c1-10-7-29(8-11(2)23-10)14-5-15(21)18-17(6-14)26-27-19(18)25-13-4-16(22)20-24-12(3)28-30(20)9-13/h4-6,9-11,23H,7-8H2,1-3H3,(H2,25,26,27)/t10-,11-/m1/s1
InChIKeyQSTXACLEWMVIAN-GHMZBOCLSA-N
MW428.90 g/mol
LogP3.64
Rot. Bonds3

About 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

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 (PubChem CID 176566800) has the molecular formula C20H22ClFN8 and a molecular weight of 428.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID176566800
Molecular FormulaC20H22ClFN8
Molecular Weight428.90 g/mol
Exact Mass428.16
IUPAC NameN-[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
SMILESCc1nc2c(F)cc(Nc3n[nH]c4cc(N5C[C@@H](C)N[C@H](C)C5)cc(Cl)c34)cn2n1
InChIInChI=1S/C20H22ClFN8/c1-10-7-29(8-11(2)23-10)14-5-15(21)18-17(6-14)26-27-19(18)25-13-4-16(22)20-24-12(3)28-30(20)9-13/h4-6,9-11,23H,7-8H2,1-3H3,(H2,25,26,27)/t10-,11-/m1/s1
InChIKeyQSTXACLEWMVIAN-GHMZBOCLSA-N
XLogP3.64
TPSA86.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2c(F)cc(Nc3n[nH]c4cc(N5C[C@@H](C)N[C@H](C)C5)cc(Cl)c34)cn2n1.
What is the InChIKey of 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?
The InChIKey is QSTXACLEWMVIAN-GHMZBOCLSA-N. The full InChI is InChI=1S/C20H22ClFN8/c1-10-7-29(8-11(2)23-10)14-5-15(21)18-17(6-14)26-27-19(18)25-13-4-16(22)20-24-12(3)28-30(20)9-13/h4-6,9-11,23H,7-8H2,1-3H3,(H2,25,26,27)/t10-,11-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 428.90 g/mol, XLogP of 3.64, 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-[(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 is sourced from PubChem (CID 176566800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).