N,N-bis(2-methoxyethyl)-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C20H28N6O3 — CID 42618217

IUPACN,N-bis(2-methoxyethyl)-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOCCN(CCOC)c1nc(C)nc2c(-c3cnc(OC)cc3C)c(C)nn12
InChIInChI=1S/C20H28N6O3/c1-13-11-17(29-6)21-12-16(13)18-14(2)24-26-19(18)22-15(3)23-20(26)25(7-9-27-4)8-10-28-5/h11-12H,7-10H2,1-6H3
InChIKeyJNAMLMNOTORVAX-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.22
Rot. Bonds9

About N,N-bis(2-methoxyethyl)-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N,N-bis(2-methoxyethyl)-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618217) has the molecular formula C20H28N6O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618217
Molecular FormulaC20H28N6O3
Molecular Weight400.48 g/mol
Exact Mass400.22
IUPAC NameN,N-bis(2-methoxyethyl)-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOCCN(CCOC)c1nc(C)nc2c(-c3cnc(OC)cc3C)c(C)nn12
InChIInChI=1S/C20H28N6O3/c1-13-11-17(29-6)21-12-16(13)18-14(2)24-26-19(18)22-15(3)23-20(26)25(7-9-27-4)8-10-28-5/h11-12H,7-10H2,1-6H3
InChIKeyJNAMLMNOTORVAX-UHFFFAOYSA-N
XLogP2.22
TPSA86.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

Dorsomorphin
CID 11524144
Pexacerfont
CID 9884366
Bms-561388
CID 9908904
4-[2-[4-(3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329447
4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329453
Methyl substituted pyrazole, 27
CID 23648674
3-(6-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine
CID 5329452
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
Methyl substituted pyrazole, 28
CID 23648676
Pyrazolo[1,5-a]-1,3,5-triazin-4-amine,8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(1S)-1-methylpropyl]-
CID 42618221
4-(2-(4-(3-(Quinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy)ethyl)morpholine
CID 50997748

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N,N-bis(2-methoxyethyl)-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618217) is N,N-bis(2-methoxyethyl)-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N,N-bis(2-methoxyethyl)-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is COCCN(CCOC)c1nc(C)nc2c(-c3cnc(OC)cc3C)c(C)nn12.
What is the InChIKey of N,N-bis(2-methoxyethyl)-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is JNAMLMNOTORVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O3/c1-13-11-17(29-6)21-12-16(13)18-14(2)24-26-19(18)22-15(3)23-20(26)25(7-9-27-4)8-10-28-5/h11-12H,7-10H2,1-6H3.
What are the key properties of N,N-bis(2-methoxyethyl)-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N,N-bis(2-methoxyethyl)-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 400.48 g/mol, XLogP of 2.22, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).