5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide

C23H25N7O5 — CID 22002278

IUPAC5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
SMILESCOc1ccc(CNc2ncc(C(=O)NN3CCOCC3)c3nc(-c4ccco4)nn23)cc1OC
InChIInChI=1S/C23H25N7O5/c1-32-17-6-5-15(12-19(17)33-2)13-24-23-25-14-16(22(31)28-29-7-10-34-11-8-29)21-26-20(27-30(21)23)18-4-3-9-35-18/h3-6,9,12,14H,7-8,10-11,13H2,1-2H3,(H,24,25)(H,28,31)
InChIKeyJIWXJSUONGDDET-UHFFFAOYSA-N
MW479.50 g/mol
LogP1.99
Rot. Bonds8

About 5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide

5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide (PubChem CID 22002278) has the molecular formula C23H25N7O5 and a molecular weight of 479.50 g/mol. Its IUPAC name is 5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
PubChem CID22002278
Molecular FormulaC23H25N7O5
Molecular Weight479.50 g/mol
Exact Mass479.19
IUPAC Name5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
SMILESCOc1ccc(CNc2ncc(C(=O)NN3CCOCC3)c3nc(-c4ccco4)nn23)cc1OC
InChIInChI=1S/C23H25N7O5/c1-32-17-6-5-15(12-19(17)33-2)13-24-23-25-14-16(22(31)28-29-7-10-34-11-8-29)21-26-20(27-30(21)23)18-4-3-9-35-18/h3-6,9,12,14H,7-8,10-11,13H2,1-2H3,(H,24,25)(H,28,31)
InChIKeyJIWXJSUONGDDET-UHFFFAOYSA-N
XLogP1.99
TPSA128.28 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.50
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

1-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]ethanone
CID 22002498
4-(3,4-dimethoxyphenyl)-1-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]butan-1-one
CID 139995049
ethyl 5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
CID 22002364
2-bromo-1-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]propan-1-one
CID 139995043
1-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-3-(4-fluorophenyl)propan-1-one
CID 139995029
2-bromo-4-(3,4-dimethoxyphenyl)-1-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]butan-1-one
CID 139995021
2-bromo-1-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-3-(4-methoxyphenyl)propan-1-one
CID 139995022
2-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid
CID 118707891
N-[(3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-8-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002292
2-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 139995036
5-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1,3-thiazol-2-amine
CID 139995003
N-[(3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-8-[5-[(4-methoxyphenyl)methyl]-2-methyl-1,3-thiazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 139995020

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?
The IUPAC name of 5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide (CID 22002278) is 5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?
The canonical SMILES for 5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide is COc1ccc(CNc2ncc(C(=O)NN3CCOCC3)c3nc(-c4ccco4)nn23)cc1OC.
What is the InChIKey of 5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?
The InChIKey is JIWXJSUONGDDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O5/c1-32-17-6-5-15(12-19(17)33-2)13-24-23-25-14-16(22(31)28-29-7-10-34-11-8-29)21-26-20(27-30(21)23)18-4-3-9-35-18/h3-6,9,12,14H,7-8,10-11,13H2,1-2H3,(H,24,25)(H,28,31).
What are the key properties of 5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?
5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide has a molecular weight of 479.50 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 22002278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).