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

C24H19N7O3 — CID 135847526

IUPAC7-(1,3-benzodioxol-5-yl)-5-methyl-N-pyridin-2-yl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccn2)C(c2ccc3c(c2)OCO3)n2nc(-c3cccnc3)nc2N1
InChIInChI=1S/C24H19N7O3/c1-14-20(23(32)28-19-6-2-3-10-26-19)21(15-7-8-17-18(11-15)34-13-33-17)31-24(27-14)29-22(30-31)16-5-4-9-25-12-16/h2-12,21H,13H2,1H3,(H,26,28,32)(H,27,29,30)
InChIKeyNTKFSOVVPBYJCW-UHFFFAOYSA-N
MW453.46 g/mol
LogP3.39
Rot. Bonds4

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

7-(1,3-benzodioxol-5-yl)-5-methyl-N-pyridin-2-yl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135847526) has the molecular formula C24H19N7O3 and a molecular weight of 453.46 g/mol. Its IUPAC name is 7-(1,3-benzodioxol-5-yl)-5-methyl-N-pyridin-2-yl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(1,3-benzodioxol-5-yl)-5-methyl-N-pyridin-2-yl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135847526
Molecular FormulaC24H19N7O3
Molecular Weight453.46 g/mol
Exact Mass453.15
IUPAC Name7-(1,3-benzodioxol-5-yl)-5-methyl-N-pyridin-2-yl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccn2)C(c2ccc3c(c2)OCO3)n2nc(-c3cccnc3)nc2N1
InChIInChI=1S/C24H19N7O3/c1-14-20(23(32)28-19-6-2-3-10-26-19)21(15-7-8-17-18(11-15)34-13-33-17)31-24(27-14)29-22(30-31)16-5-4-9-25-12-16/h2-12,21H,13H2,1H3,(H,26,28,32)(H,27,29,30)
InChIKeyNTKFSOVVPBYJCW-UHFFFAOYSA-N
XLogP3.39
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-methyl-N-pyridin-2-yl-2,7-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135765651
(7S)-7-(1,3-benzodioxol-5-yl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 1217470
7-(3,4-dichlorophenyl)-5-methyl-2-phenyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135838937
7-(1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135704161
5-methyl-7-(3-nitrophenyl)-2-phenyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135698051
7-(3-methoxyphenyl)-5-methyl-N-phenyl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135856196
(7R)-7-(3-bromophenyl)-5-methyl-N-phenyl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 1181676
5-methyl-N,2-diphenyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4116212
7-(1,3-benzodioxol-5-yl)-5-methyl-2-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135554058
9-(1,3-benzodioxol-5-yl)-2-pyridin-3-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135681267
5-methyl-2-(3-methylphenyl)-7-pyridin-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135579942
(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

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzodioxol-5-yl)-5-methyl-N-pyridin-2-yl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(1,3-benzodioxol-5-yl)-5-methyl-N-pyridin-2-yl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135847526) is 7-(1,3-benzodioxol-5-yl)-5-methyl-N-pyridin-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 7-(1,3-benzodioxol-5-yl)-5-methyl-N-pyridin-2-yl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(1,3-benzodioxol-5-yl)-5-methyl-N-pyridin-2-yl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccn2)C(c2ccc3c(c2)OCO3)n2nc(-c3cccnc3)nc2N1.
What is the InChIKey of 7-(1,3-benzodioxol-5-yl)-5-methyl-N-pyridin-2-yl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is NTKFSOVVPBYJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7O3/c1-14-20(23(32)28-19-6-2-3-10-26-19)21(15-7-8-17-18(11-15)34-13-33-17)31-24(27-14)29-22(30-31)16-5-4-9-25-12-16/h2-12,21H,13H2,1H3,(H,26,28,32)(H,27,29,30).
What are the key properties of 7-(1,3-benzodioxol-5-yl)-5-methyl-N-pyridin-2-yl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-(1,3-benzodioxol-5-yl)-5-methyl-N-pyridin-2-yl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 453.46 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-benzodioxol-5-yl)-5-methyl-N-pyridin-2-yl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135847526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).