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

C24H22N6O3 — CID 135749419

IUPACN-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccnc3)nn2C1c1ccc(C)o1
InChIInChI=1S/C24H22N6O3/c1-14-10-11-19(33-14)21-20(23(31)27-17-8-4-5-9-18(17)32-3)15(2)26-24-28-22(29-30(21)24)16-7-6-12-25-13-16/h4-13,21H,1-3H3,(H,27,31)(H,26,28,29)
InChIKeySUMULTTVQFTYEF-UHFFFAOYSA-N
MW442.48 g/mol
LogP4.18
Rot. Bonds5

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

N-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135749419) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135749419
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC NameN-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccnc3)nn2C1c1ccc(C)o1
InChIInChI=1S/C24H22N6O3/c1-14-10-11-19(33-14)21-20(23(31)27-17-8-4-5-9-18(17)32-3)15(2)26-24-28-22(29-30(21)24)16-7-6-12-25-13-16/h4-13,21H,1-3H3,(H,27,31)(H,26,28,29)
InChIKeySUMULTTVQFTYEF-UHFFFAOYSA-N
XLogP4.18
TPSA107.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

(7R)-N-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136712415
2-(4-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135736768
N-(2-methoxyphenyl)-5-methyl-7-phenyl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135721920
(7S)-7-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136712418
2-[4-(dimethylamino)phenyl]-N-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135594335
7-(4-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135553789
N-(2-methoxyphenyl)-5-methyl-2-(3-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135582078
N-(2-methoxyphenyl)-5-methyl-2,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135814716
N-(2-methoxyphenyl)-7-(4-methoxyphenyl)-5-methyl-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135723266
(7S)-N-(2-methoxyphenyl)-7-(4-methoxyphenyl)-5-methyl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135935623
2-(4-tert-butylphenyl)-5-methyl-7-(5-methylfuran-2-yl)-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135759273
(7R)-N-(2-methoxyphenyl)-5-methyl-7-phenyl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135935626

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135749419) is N-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccnc3)nn2C1c1ccc(C)o1.
What is the InChIKey of N-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is SUMULTTVQFTYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3/c1-14-10-11-19(33-14)21-20(23(31)27-17-8-4-5-9-18(17)32-3)15(2)26-24-28-22(29-30(21)24)16-7-6-12-25-13-16/h4-13,21H,1-3H3,(H,27,31)(H,26,28,29).
What are the key properties of N-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
N-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135749419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).