7-(3,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C23H26N6O4 — CID 135755891

IUPAC7-(3,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3ccccn3)=C(C)Nc3nc(CCCO)nn32)cc1OC
InChIInChI=1S/C23H26N6O4/c1-14-20(22(31)26-18-7-4-5-11-24-18)21(15-9-10-16(32-2)17(13-15)33-3)29-23(25-14)27-19(28-29)8-6-12-30/h4-5,7,9-11,13,21,30H,6,8,12H2,1-3H3,(H,24,26,31)(H,25,27,28)
InChIKeyROFGODGWYBMNCU-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.54
Rot. Bonds8

About 7-(3,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-(3,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135755891) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135755891
Molecular FormulaC23H26N6O4
Molecular Weight450.50 g/mol
Exact Mass450.20
IUPAC Name7-(3,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3ccccn3)=C(C)Nc3nc(CCCO)nn32)cc1OC
InChIInChI=1S/C23H26N6O4/c1-14-20(22(31)26-18-7-4-5-11-24-18)21(15-9-10-16(32-2)17(13-15)33-3)29-23(25-14)27-19(28-29)8-6-12-30/h4-5,7,9-11,13,21,30H,6,8,12H2,1-3H3,(H,24,26,31)(H,25,27,28)
InChIKeyROFGODGWYBMNCU-UHFFFAOYSA-N
XLogP2.54
TPSA123.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-(3,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

2-(3-hydroxypropyl)-7-(4-methoxyphenyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135769070
7-(2,4-dichlorophenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135795998
N-(4-fluorophenyl)-2-(3-hydroxypropyl)-7-(3-methoxy-4-phenylmethoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135600740
7-(4-ethoxy-3-methoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4098838
(7R)-2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135627187
(7S)-7-(4-hydroxyphenyl)-2-(3-hydroxypropyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135882585
(7R)-2-(3-hydroxypropyl)-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135737298
7-(3,4-dichlorophenyl)-2-(3-hydroxypropyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135575502
2-(2-chlorophenyl)-7-(3-methoxy-4-phenylmethoxyphenyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135822836
7-(3-methoxy-4-phenylmethoxyphenyl)-5-methyl-N-pyridin-2-yl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135709993
7-(4-hydroxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 5128481
(7S)-7-(2,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135890371

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135755891) is 7-(3,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccc(C2C(C(=O)Nc3ccccn3)=C(C)Nc3nc(CCCO)nn32)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is ROFGODGWYBMNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4/c1-14-20(22(31)26-18-7-4-5-11-24-18)21(15-9-10-16(32-2)17(13-15)33-3)29-23(25-14)27-19(28-29)8-6-12-30/h4-5,7,9-11,13,21,30H,6,8,12H2,1-3H3,(H,24,26,31)(H,25,27,28).
What are the key properties of 7-(3,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-(3,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 2.54, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135755891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).