4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide

C19H21N9O2 — CID 145225692

IUPAC4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
SMILESCN1C(=O)CCCn2nccc21.Cn1cc(-c2cccc3nc(C(N)=O)nn23)cn1
InChIInChI=1S/C11H10N6O.C8H11N3O/c1-16-6-7(5-13-16)8-3-2-4-9-14-11(10(12)18)15-17(8)9;1-10-7-4-5-9-11(7)6-2-3-8(10)12/h2-6H,1H3,(H2,12,18);4-5H,2-3,6H2,1H3
InChIKeyUTWZYSUSGPWRCM-UHFFFAOYSA-N
MW407.44 g/mol
LogP0.87
Rot. Bonds2

About 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide

4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 145225692) has the molecular formula C19H21N9O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
PubChem CID145225692
Molecular FormulaC19H21N9O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC Name4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
SMILESCN1C(=O)CCCn2nccc21.Cn1cc(-c2cccc3nc(C(N)=O)nn23)cn1
InChIInChI=1S/C11H10N6O.C8H11N3O/c1-16-6-7(5-13-16)8-3-2-4-9-14-11(10(12)18)15-17(8)9;1-10-7-4-5-9-11(7)6-2-3-8(10)12/h2-6H,1H3,(H2,12,18);4-5H,2-3,6H2,1H3
InChIKeyUTWZYSUSGPWRCM-UHFFFAOYSA-N
XLogP0.87
TPSA129.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-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

6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide;ethane;4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;propane
CID 145225030
benzene;1-(7-fluoro-7-methyl-5,6-dihydropyrrolo[1,2-b][1,2,4]triazol-2-yl)but-3-en-1-one;4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
CID 142375286
5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 141377477
1-benzyl-1,2,4-triazole-3-carboxamide;2-(2,2-difluorocyclopropyl)-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
CID 145225512
6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-2-carboxylic acid
CID 138663784
[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 116989463
3-(1-methylpyrazol-4-yl)-8-methylsulfanylimidazo[1,2-a]pyrazine-6-carboxamide
CID 143461208
1-[4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 135249544
12-(1-methylpyrazol-4-yl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3-carboxylic acid
CID 134328738
ethane;molecular hydrogen;N-[5-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 143788027
4-amino-8-(1-methylpyrazol-4-yl)cinnoline-3-carboxamide
CID 122180346
6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 141364751

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (CID 145225692) is 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is CN1C(=O)CCCn2nccc21.Cn1cc(-c2cccc3nc(C(N)=O)nn23)cn1.
What is the InChIKey of 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is UTWZYSUSGPWRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O.C8H11N3O/c1-16-6-7(5-13-16)8-3-2-4-9-14-11(10(12)18)15-17(8)9;1-10-7-4-5-9-11(7)6-2-3-8(10)12/h2-6H,1H3,(H2,12,18);4-5H,2-3,6H2,1H3.
What are the key properties of 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 407.44 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 145225692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).