N,N-dimethyl-2-[[(7R)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]ethanamine

C19H29N5O — CID 97463391

IUPACN,N-dimethyl-2-[[(7R)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]ethanamine
SMILESCc1cccc(CN2Cc3ccnn3C[C@H](COCCN(C)C)C2)n1
InChIInChI=1S/C19H29N5O/c1-16-5-4-6-18(21-16)13-23-11-17(15-25-10-9-22(2)3)12-24-19(14-23)7-8-20-24/h4-8,17H,9-15H2,1-3H3/t17-/m1/s1
InChIKeyGRYTXTMKFQYFOI-QGZVFWFLSA-N
MW343.48 g/mol
LogP1.80
Rot. Bonds7

About N,N-dimethyl-2-[[(7R)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]ethanamine

N,N-dimethyl-2-[[(7R)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]ethanamine (PubChem CID 97463391) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(7R)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(7R)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]ethanamine
PubChem CID97463391
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC NameN,N-dimethyl-2-[[(7R)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]ethanamine
SMILESCc1cccc(CN2Cc3ccnn3C[C@H](COCCN(C)C)C2)n1
InChIInChI=1S/C19H29N5O/c1-16-5-4-6-18(21-16)13-23-11-17(15-25-10-9-22(2)3)12-24-19(14-23)7-8-20-24/h4-8,17H,9-15H2,1-3H3/t17-/m1/s1
InChIKeyGRYTXTMKFQYFOI-QGZVFWFLSA-N
XLogP1.80
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.80
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

N,N-dimethyl-2-[[5-[(5-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 171693884
[(7S)-7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyrrolidin-1-ylmethanone
CID 97463423
[7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 118746052
7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 131644437
7-(ethoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 131647388
(7R)-7-(pyridin-2-ylmethoxymethyl)-5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 97463588
(7S)-5-[(5-methylthiophen-2-yl)methyl]-7-(prop-2-enoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 97381879
7-(pyridin-2-ylmethoxymethyl)-5-(pyridin-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;bis(2,2,2-trifluoroacetic acid)
CID 155862056
2-[[5-(furan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]-N,N-dimethylacetamide
CID 131656833
3-[[(7S)-7-(prop-2-enoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]benzonitrile
CID 97463437
(7S)-5-[(1-methylimidazol-2-yl)methyl]-7-(prop-2-enoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 97463430
5-methyl-3-[[7-[(6-methyl-2-pyridinyl)methoxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)
CID 155851828

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(7R)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[[(7R)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]ethanamine (CID 97463391) is N,N-dimethyl-2-[[(7R)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[[(7R)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[[(7R)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]ethanamine is Cc1cccc(CN2Cc3ccnn3C[C@H](COCCN(C)C)C2)n1.
What is the InChIKey of N,N-dimethyl-2-[[(7R)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]ethanamine?
The InChIKey is GRYTXTMKFQYFOI-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H29N5O/c1-16-5-4-6-18(21-16)13-23-11-17(15-25-10-9-22(2)3)12-24-19(14-23)7-8-20-24/h4-8,17H,9-15H2,1-3H3/t17-/m1/s1.
What are the key properties of N,N-dimethyl-2-[[(7R)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]ethanamine?
N,N-dimethyl-2-[[(7R)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]ethanamine has a molecular weight of 343.48 g/mol, XLogP of 1.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(7R)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]ethanamine is sourced from PubChem (CID 97463391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).