(7R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2-pyridin-3-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

C19H16N6O4 — CID 136713252

IUPAC(7R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2-pyridin-3-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C1C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)n2nc(-c3cccnc3)nc2N1
InChIInChI=1S/C19H16N6O4/c26-16-9-13(18(27)21-12-3-4-14-15(8-12)29-7-6-28-14)25-19(22-16)23-17(24-25)11-2-1-5-20-10-11/h1-5,8,10,13H,6-7,9H2,(H,21,27)(H,22,23,24,26)/t13-/m1/s1
InChIKeyAPYYXCRBAOQAKR-CYBMUJFWSA-N
MW392.38 g/mol
LogP1.63
Rot. Bonds3

About (7R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2-pyridin-3-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

(7R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2-pyridin-3-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 136713252) has the molecular formula C19H16N6O4 and a molecular weight of 392.38 g/mol. Its IUPAC name is (7R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2-pyridin-3-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name(7R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2-pyridin-3-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID136713252
Molecular FormulaC19H16N6O4
Molecular Weight392.38 g/mol
Exact Mass392.12
IUPAC Name(7R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2-pyridin-3-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C1C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)n2nc(-c3cccnc3)nc2N1
InChIInChI=1S/C19H16N6O4/c26-16-9-13(18(27)21-12-3-4-14-15(8-12)29-7-6-28-14)25-19(22-16)23-17(24-25)11-2-1-5-20-10-11/h1-5,8,10,13H,6-7,9H2,(H,21,27)(H,22,23,24,26)/t13-/m1/s1
InChIKeyAPYYXCRBAOQAKR-CYBMUJFWSA-N
XLogP1.63
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (7R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2-pyridin-3-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135938283
5-oxo-2-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4871045
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 2980428
5-oxo-2-pyridin-3-yl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4908463
(7S)-N-(3-chloro-2-methylphenyl)-5-oxo-2-pyridin-3-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 136713237
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyethoxymethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135624848
(7S)-5-oxo-2-phenyl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135938240
(7R)-N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135938267
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-pyridin-3-yltetrazol-2-yl)acetamide
CID 860932
(7S)-N-(3,4-dimethylphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135714329
(7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135830412
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135650071

Frequently Asked Questions

What is the IUPAC name of (7R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2-pyridin-3-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of (7R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2-pyridin-3-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 136713252) is (7R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2-pyridin-3-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for (7R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2-pyridin-3-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for (7R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2-pyridin-3-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is O=C1C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)n2nc(-c3cccnc3)nc2N1.
What is the InChIKey of (7R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2-pyridin-3-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is APYYXCRBAOQAKR-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H16N6O4/c26-16-9-13(18(27)21-12-3-4-14-15(8-12)29-7-6-28-14)25-19(22-16)23-17(24-25)11-2-1-5-20-10-11/h1-5,8,10,13H,6-7,9H2,(H,21,27)(H,22,23,24,26)/t13-/m1/s1.
What are the key properties of (7R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2-pyridin-3-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
(7R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2-pyridin-3-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 392.38 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-2-pyridin-3-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 136713252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).