4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;spiro[4,6-dihydropyrrolo[1,2-c]triazole-5,1'-cyclopentane]-3-carboxamide

C18H25N7O2 — CID 145225092

IUPAC4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;spiro[4,6-dihydropyrrolo[1,2-c]triazole-5,1'-cyclopentane]-3-carboxamide
SMILESCN1C(=O)CCCn2nccc21.NC(=O)c1nnn2c1CC1(CCCC1)C2
InChIInChI=1S/C10H14N4O.C8H11N3O/c11-9(15)8-7-5-10(3-1-2-4-10)6-14(7)13-12-8;1-10-7-4-5-9-11(7)6-2-3-8(10)12/h1-6H2,(H2,11,15);4-5H,2-3,6H2,1H3
InChIKeyFDVALIBTQAIDCH-UHFFFAOYSA-N
MW371.45 g/mol
LogP1.13
Rot. Bonds1

About 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;spiro[4,6-dihydropyrrolo[1,2-c]triazole-5,1'-cyclopentane]-3-carboxamide

4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;spiro[4,6-dihydropyrrolo[1,2-c]triazole-5,1'-cyclopentane]-3-carboxamide (PubChem CID 145225092) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;spiro[4,6-dihydropyrrolo[1,2-c]triazole-5,1'-cyclopentane]-3-carboxamide.

Molecular Properties

Compound Name4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;spiro[4,6-dihydropyrrolo[1,2-c]triazole-5,1'-cyclopentane]-3-carboxamide
PubChem CID145225092
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC Name4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;spiro[4,6-dihydropyrrolo[1,2-c]triazole-5,1'-cyclopentane]-3-carboxamide
SMILESCN1C(=O)CCCn2nccc21.NC(=O)c1nnn2c1CC1(CCCC1)C2
InChIInChI=1S/C10H14N4O.C8H11N3O/c11-9(15)8-7-5-10(3-1-2-4-10)6-14(7)13-12-8;1-10-7-4-5-9-11(7)6-2-3-8(10)12/h1-6H2,(H2,11,15);4-5H,2-3,6H2,1H3
InChIKeyFDVALIBTQAIDCH-UHFFFAOYSA-N
XLogP1.13
TPSA111.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
5-benzyl-1H-1,2,4-triazole-3-carboxamide;4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
CID 145408010
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
4,6-dimethyl-6,7,8,9-tetrahydropyrazolo[1,5-a][1,3]diazocin-5-one;ethane
CID 145225486
2-azaspiro[4.5]decan-2-yl-(2-methylpyrazol-3-yl)methanone
CID 71873410
1-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-c]triazol-3-yl)ethanone
CID 91983154
2-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)acetamide
CID 18955298
1-methylpyrrolidin-2-one;urea
CID 141281161
5-ethylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,1'-cyclopentane]
CID 169145368
3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylic acid
CID 63260102
2-(3-oxo-2-azaspiro[4.4]nonan-2-yl)acetamide
CID 23336694
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;spiro[4,6-dihydropyrrolo[1,2-c]triazole-5,1'-cyclopentane]-3-carboxamide?
The IUPAC name of 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;spiro[4,6-dihydropyrrolo[1,2-c]triazole-5,1'-cyclopentane]-3-carboxamide (CID 145225092) is 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;spiro[4,6-dihydropyrrolo[1,2-c]triazole-5,1'-cyclopentane]-3-carboxamide.
What is the SMILES notation for 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;spiro[4,6-dihydropyrrolo[1,2-c]triazole-5,1'-cyclopentane]-3-carboxamide?
The canonical SMILES for 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;spiro[4,6-dihydropyrrolo[1,2-c]triazole-5,1'-cyclopentane]-3-carboxamide is CN1C(=O)CCCn2nccc21.NC(=O)c1nnn2c1CC1(CCCC1)C2.
What is the InChIKey of 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;spiro[4,6-dihydropyrrolo[1,2-c]triazole-5,1'-cyclopentane]-3-carboxamide?
The InChIKey is FDVALIBTQAIDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O.C8H11N3O/c11-9(15)8-7-5-10(3-1-2-4-10)6-14(7)13-12-8;1-10-7-4-5-9-11(7)6-2-3-8(10)12/h1-6H2,(H2,11,15);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;spiro[4,6-dihydropyrrolo[1,2-c]triazole-5,1'-cyclopentane]-3-carboxamide?
4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;spiro[4,6-dihydropyrrolo[1,2-c]triazole-5,1'-cyclopentane]-3-carboxamide has a molecular weight of 371.45 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 7 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;spiro[4,6-dihydropyrrolo[1,2-c]triazole-5,1'-cyclopentane]-3-carboxamide is sourced from PubChem (CID 145225092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).