6-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

C30H32F2N8O2 — CID 156902759

IUPAC6-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCOc1ccc(CNc2nc(-c3cc(F)ccc3F)c(C)n3nc(C4CCCN(c5cnn(C)c5)C4)nc23)c(OC)c1
InChIInChI=1S/C30H32F2N8O2/c1-18-27(24-12-21(31)8-10-25(24)32)35-29(33-14-19-7-9-23(41-3)13-26(19)42-4)30-36-28(37-40(18)30)20-6-5-11-39(16-20)22-15-34-38(2)17-22/h7-10,12-13,15,17,20H,5-6,11,14,16H2,1-4H3,(H,33,35)
InChIKeyLHSKXKZFLOWKKC-UHFFFAOYSA-N
MW574.64 g/mol
LogP5.12
Rot. Bonds8

About 6-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

6-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 156902759) has the molecular formula C30H32F2N8O2 and a molecular weight of 574.64 g/mol. Its IUPAC name is 6-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID156902759
Molecular FormulaC30H32F2N8O2
Molecular Weight574.64 g/mol
Exact Mass574.26
IUPAC Name6-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCOc1ccc(CNc2nc(-c3cc(F)ccc3F)c(C)n3nc(C4CCCN(c5cnn(C)c5)C4)nc23)c(OC)c1
InChIInChI=1S/C30H32F2N8O2/c1-18-27(24-12-21(31)8-10-25(24)32)35-29(33-14-19-7-9-23(41-3)13-26(19)42-4)30-36-28(37-40(18)30)20-6-5-11-39(16-20)22-15-34-38(2)17-22/h7-10,12-13,15,17,20H,5-6,11,14,16H2,1-4H3,(H,33,35)
InChIKeyLHSKXKZFLOWKKC-UHFFFAOYSA-N
XLogP5.12
TPSA94.63 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.64
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(2,4-difluorophenyl)-3-(2-methoxy-5-(3-(4-methylpiperazin-1-yl)prop-1-ynyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11634558
2-(2,4-Dimethoxyphenyl)-5,7-dimethyl-6-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine
CID 16187533
7-cyclohexyl-6-[4-(3-methoxyphenoxy)phenyl]-3-(1H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15957980
N-(4-(4-methylpiperazin-1-yl)benzyl)-3-(4-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-amine
CID 44530412
3,5-dimethoxy-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766934
6-(4-Piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 118392586
2-[2-(2-Methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 118525854
8-(2,4-dimethylpyrimidin-5-yl)-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 132256889
N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)-1,5-naphthyridin-2-amine
CID 71559040
N'-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-N'-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]ethane-1,2-diamine
CID 89534049
1-[2-[4-(6-Methoxyimidazo[1,2-b]pyridazin-3-yl)phenoxy]pyrimidin-5-yl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea
CID 118596638
2-(difluoromethyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-5-N-(6-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134456476

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of 6-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 156902759) is 6-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 6-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 6-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is COc1ccc(CNc2nc(-c3cc(F)ccc3F)c(C)n3nc(C4CCCN(c5cnn(C)c5)C4)nc23)c(OC)c1.
What is the InChIKey of 6-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is LHSKXKZFLOWKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N8O2/c1-18-27(24-12-21(31)8-10-25(24)32)35-29(33-14-19-7-9-23(41-3)13-26(19)42-4)30-36-28(37-40(18)30)20-6-5-11-39(16-20)22-15-34-38(2)17-22/h7-10,12-13,15,17,20H,5-6,11,14,16H2,1-4H3,(H,33,35).
What are the key properties of 6-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
6-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 574.64 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-difluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 156902759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).