1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyridin-2-one

C18H25N5O3 — CID 91788695

IUPAC1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyridin-2-one
SMILESCN(C)CC(O)c1cc2n(n1)CCCN(C(=O)Cn1ccccc1=O)C2
InChIInChI=1S/C18H25N5O3/c1-20(2)12-16(24)15-10-14-11-21(8-5-9-23(14)19-15)18(26)13-22-7-4-3-6-17(22)25/h3-4,6-7,10,16,24H,5,8-9,11-13H2,1-2H3
InChIKeyWARUDAQWQJWACR-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.07
Rot. Bonds5

About 1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyridin-2-one

1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 91788695) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyridin-2-one
PubChem CID91788695
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyridin-2-one
SMILESCN(C)CC(O)c1cc2n(n1)CCCN(C(=O)Cn1ccccc1=O)C2
InChIInChI=1S/C18H25N5O3/c1-20(2)12-16(24)15-10-14-11-21(8-5-9-23(14)19-15)18(26)13-22-7-4-3-6-17(22)25/h3-4,6-7,10,16,24H,5,8-9,11-13H2,1-2H3
InChIKeyWARUDAQWQJWACR-UHFFFAOYSA-N
XLogP0.07
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyridin-2-one with MolForge

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Related Compounds

2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-[2-(1-hydroxypropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 90652212
2-(dimethylamino)-1-[5-[(5-propylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
CID 91790594
2-(4,5-dimethylimidazol-1-yl)-1-[2-(1-hydroxypropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 90653751
5-[3-[2-[2-(dimethylamino)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-oxopropyl]-1,2-oxazol-3-one
CID 91779226
2-(dimethylamino)-1-[5-(1H-imidazol-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
CID 90653916
1-[2-(1,2-dihydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 90653418
1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-pyrrol-1-ylethanone
CID 91774118
[2-[2-(dimethylamino)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(dimethylamino)-3-pyridinyl]methanone
CID 91836032
1-[2-(1-hydroxypropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-pyridin-2-ylsulfanylethanone
CID 90649979
3-[2-[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 99982099
(E)-1-[2-[(1S)-1,2-dihydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-phenylprop-2-en-1-one
CID 99974056
3-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 90650176

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyridin-2-one (CID 91788695) is 1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyridin-2-one is CN(C)CC(O)c1cc2n(n1)CCCN(C(=O)Cn1ccccc1=O)C2.
What is the InChIKey of 1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is WARUDAQWQJWACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-20(2)12-16(24)15-10-14-11-21(8-5-9-23(14)19-15)18(26)13-22-7-4-3-6-17(22)25/h3-4,6-7,10,16,24H,5,8-9,11-13H2,1-2H3.
What are the key properties of 1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyridin-2-one?
1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 359.43 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 91788695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).