[7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridin-2-ylmethanone

C18H25N5O2 — CID 118739407

IUPAC[7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridin-2-ylmethanone
SMILESCN(C)CCOCC1CN(C(=O)c2ccccn2)Cc2ccnn2C1
InChIInChI=1S/C18H25N5O2/c1-21(2)9-10-25-14-15-11-22(13-16-6-8-20-23(16)12-15)18(24)17-5-3-4-7-19-17/h3-8,15H,9-14H2,1-2H3
InChIKeyQDXCPXFKSKRYBS-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.13
Rot. Bonds6

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

[7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridin-2-ylmethanone (PubChem CID 118739407) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is [7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridin-2-ylmethanone
PubChem CID118739407
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name[7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridin-2-ylmethanone
SMILESCN(C)CCOCC1CN(C(=O)c2ccccn2)Cc2ccnn2C1
InChIInChI=1S/C18H25N5O2/c1-21(2)9-10-25-14-15-11-22(13-16-6-8-20-23(16)12-15)18(24)17-5-3-4-7-19-17/h3-8,15H,9-14H2,1-2H3
InChIKeyQDXCPXFKSKRYBS-UHFFFAOYSA-N
XLogP1.13
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]pyrazole-3-carboxamide
CID 117609585
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyridine-2-carboxamide
CID 35520710
[4-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 40037225
[4-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 48086360
[4-[(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 48086521
5-isopropyl-N-(2-pyridin-2-ylethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50952632
2-[2-(3-Methylphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepine-5-carbonyl]pyridine
CID 53165051
(1-Ethylpyrazol-3-yl)-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
CID 53165144
[4-[(1-Methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 53566308
N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 53581234
[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 53594683
[4-[(1-Methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 53603341

Frequently Asked Questions

What is the IUPAC name of [7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridin-2-ylmethanone?
The IUPAC name of [7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridin-2-ylmethanone (CID 118739407) is [7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridin-2-ylmethanone is CN(C)CCOCC1CN(C(=O)c2ccccn2)Cc2ccnn2C1.
What is the InChIKey of [7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridin-2-ylmethanone?
The InChIKey is QDXCPXFKSKRYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-21(2)9-10-25-14-15-11-22(13-16-6-8-20-23(16)12-15)18(24)17-5-3-4-7-19-17/h3-8,15H,9-14H2,1-2H3.
What are the key properties of [7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridin-2-ylmethanone?
[7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridin-2-ylmethanone has a molecular weight of 343.43 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 118739407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).