8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

C21H23N5O3 — CID 135356185

IUPAC8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOc1ccc(-c2c(C)nn3c(NCc4ccc(C)o4)nc(C)nc23)cc1OC
InChIInChI=1S/C21H23N5O3/c1-12-6-8-16(29-12)11-22-21-24-14(3)23-20-19(13(2)25-26(20)21)15-7-9-17(27-4)18(10-15)28-5/h6-10H,11H2,1-5H3,(H,22,23,24)
InChIKeySHFBYFWCOJWEDG-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.94
Rot. Bonds6

About 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 135356185) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID135356185
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOc1ccc(-c2c(C)nn3c(NCc4ccc(C)o4)nc(C)nc23)cc1OC
InChIInChI=1S/C21H23N5O3/c1-12-6-8-16(29-12)11-22-21-24-14(3)23-20-19(13(2)25-26(20)21)15-7-9-17(27-4)18(10-15)28-5/h6-10H,11H2,1-5H3,(H,22,23,24)
InChIKeySHFBYFWCOJWEDG-UHFFFAOYSA-N
XLogP3.94
TPSA86.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-((ethylamino)methyl)phenoxy)acetamide
CID 24739307
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(4-((dimethylamino)methyl)-2-methoxyphenoxy)acetamide
CID 24739310
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-(2-(dimethylamino)ethyl)phenoxy)acetamide
CID 24739648
N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4973866
Pyrazolo[1,5-a]-1,3,5-triazine, 12-42
CID 42618204
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3797260
5-(1,3-benzodioxol-5-yl)-N-(2-furanylmethyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
CID 645580
N-(2-furanylmethyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
CID 1100808
3-(3,4-Dimethoxyphenyl)-2,5-dimethyl-N-(2-morpholinoethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4904109
4-(Furan-2-yl)-1-[(3-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 9818556
2-Furan-2-yl-7-(4-methoxy-phenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10125605
2-Furan-2-yl-7-(3-{4-[4-(2-methoxy-ethoxy)-2-methyl-phenyl]-piperazin-1-ylmethyl}-phenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10128756

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 135356185) is 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is COc1ccc(-c2c(C)nn3c(NCc4ccc(C)o4)nc(C)nc23)cc1OC.
What is the InChIKey of 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is SHFBYFWCOJWEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-12-6-8-16(29-12)11-22-21-24-14(3)23-20-19(13(2)25-26(20)21)15-7-9-17(27-4)18(10-15)28-5/h6-10H,11H2,1-5H3,(H,22,23,24).
What are the key properties of 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 393.45 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 135356185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).