8-(oxan-4-ylmethyl)-6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine

C17H25N5O — CID 134076083

IUPAC8-(oxan-4-ylmethyl)-6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
SMILESc1cnn(CC2CN(CC3CCOCC3)Cc3nccn3C2)c1
InChIInChI=1S/C17H25N5O/c1-4-19-22(6-1)13-16-11-20(10-15-2-8-23-9-3-15)14-17-18-5-7-21(17)12-16/h1,4-7,15-16H,2-3,8-14H2
InChIKeyIPNYFWXGYGVALK-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.64
Rot. Bonds4

About 8-(oxan-4-ylmethyl)-6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine

8-(oxan-4-ylmethyl)-6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine (PubChem CID 134076083) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 8-(oxan-4-ylmethyl)-6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine.

Molecular Properties

Compound Name8-(oxan-4-ylmethyl)-6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
PubChem CID134076083
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name8-(oxan-4-ylmethyl)-6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
SMILESc1cnn(CC2CN(CC3CCOCC3)Cc3nccn3C2)c1
InChIInChI=1S/C17H25N5O/c1-4-19-22(6-1)13-16-11-20(10-15-2-8-23-9-3-15)14-17-18-5-7-21(17)12-16/h1,4-7,15-16H,2-3,8-14H2
InChIKeyIPNYFWXGYGVALK-UHFFFAOYSA-N
XLogP1.64
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(oxan-4-ylmethyl)-6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine 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

8-(Oxan-4-ylmethyl)-3-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine
CID 97519740
8-(Oxan-4-ylmethyl)-3-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 118745491
8-(Oxan-4-ylmethyl)-3-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine;bis(2,2,2-trifluoroacetic acid)
CID 171688733
1-ethyl-4-{[2-(tetrahydrofuran-3-yl)-1H-imidazol-1-yl]methyl}-1H-pyrazole
CID 56868529
7-(oxan-4-ylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97384442
8-methyl-7-(oxan-4-ylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 131639233
6-(Methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 131642436
8-[(1-Methylpyrazol-4-yl)methyl]-6-(prop-2-enoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 131647251
6-(Pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
CID 131655982
1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-[2-(1H-pyrazol-1-yl)ethyl]piperidine
CID 70784858
1-ethyl-5-[1-methyl-2-(1H-pyrazol-1-yl)ethyl]-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazole
CID 72878271
4-[(1-propyl-1H-imidazol-2-yl)methyl]-2-(1H-pyrazol-1-ylmethyl)-1,4-oxazepane
CID 77086069

Frequently Asked Questions

What is the IUPAC name of 8-(oxan-4-ylmethyl)-6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
The IUPAC name of 8-(oxan-4-ylmethyl)-6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine (CID 134076083) is 8-(oxan-4-ylmethyl)-6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine.
What is the SMILES notation for 8-(oxan-4-ylmethyl)-6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
The canonical SMILES for 8-(oxan-4-ylmethyl)-6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine is c1cnn(CC2CN(CC3CCOCC3)Cc3nccn3C2)c1.
What is the InChIKey of 8-(oxan-4-ylmethyl)-6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
The InChIKey is IPNYFWXGYGVALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-4-19-22(6-1)13-16-11-20(10-15-2-8-23-9-3-15)14-17-18-5-7-21(17)12-16/h1,4-7,15-16H,2-3,8-14H2.
What are the key properties of 8-(oxan-4-ylmethyl)-6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine?
8-(oxan-4-ylmethyl)-6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine has a molecular weight of 315.42 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxan-4-ylmethyl)-6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine is sourced from PubChem (CID 134076083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).