5-(oxolan-3-ylmethyl)-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

C20H30N6O — CID 56891126

IUPAC5-(oxolan-3-ylmethyl)-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESc1ncn2c1CN(Cc1cc3n(n1)CCCN(CC1CCOC1)C3)CCC2
InChIInChI=1S/C20H30N6O/c1-4-24(14-20-10-21-16-25(20)6-1)12-18-9-19-13-23(5-2-7-26(19)22-18)11-17-3-8-27-15-17/h9-10,16-17H,1-8,11-15H2
InChIKeyCJRKXDVIEUIWHZ-UHFFFAOYSA-N
MW370.50 g/mol
LogP1.73
Rot. Bonds4

About 5-(oxolan-3-ylmethyl)-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

5-(oxolan-3-ylmethyl)-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (PubChem CID 56891126) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 5-(oxolan-3-ylmethyl)-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name5-(oxolan-3-ylmethyl)-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
PubChem CID56891126
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name5-(oxolan-3-ylmethyl)-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESc1ncn2c1CN(Cc1cc3n(n1)CCCN(CC1CCOC1)C3)CCC2
InChIInChI=1S/C20H30N6O/c1-4-24(14-20-10-21-16-25(20)6-1)12-18-9-19-13-23(5-2-7-26(19)22-18)11-17-3-8-27-15-17/h9-10,16-17H,1-8,11-15H2
InChIKeyCJRKXDVIEUIWHZ-UHFFFAOYSA-N
XLogP1.73
TPSA51.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(oxolan-3-ylmethyl)-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-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

2-(1,4-Dimethylimidazol-2-yl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;ethane
CID 169145388
2-{1-[(4-methyl-1,4-oxazepan-6-yl)methyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56889888
2-({4-[2-(1H-imidazol-1-yl)ethyl]-1-piperazinyl}methyl)-5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56890869
2-{1-[2-(tetrahydro-3-furanyl)ethyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56894564
2-(6,7-dihydro-5H-imidazo[1,5-a][1,4]diazepin-8(9H)-ylmethyl)-5-(2-pyrimidinyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56896843
2-(6,7-dihydro-5H-imidazo[1,5-a][1,4]diazepin-8(9H)-ylmethyl)-N-isopropyl-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide
CID 56905060
5-[(2E)-2-buten-1-yl]-2-{[3-(1H-imidazol-1-ylmethyl)-1-piperidinyl]methyl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56907964
2-(1-{[1-(2-methoxyethyl)-3-pyrrolidinyl]methyl}-1H-imidazol-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 70748926
2-[1-(oxan-4-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 70787443
5-But-2-enyl-2-[[3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 72075098
5-[[(3S)-oxolan-3-yl]methyl]-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 95714127
(6S)-4-methyl-6-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,4-oxazepane
CID 95862643

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-ylmethyl)-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 5-(oxolan-3-ylmethyl)-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (CID 56891126) is 5-(oxolan-3-ylmethyl)-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 5-(oxolan-3-ylmethyl)-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 5-(oxolan-3-ylmethyl)-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is c1ncn2c1CN(Cc1cc3n(n1)CCCN(CC1CCOC1)C3)CCC2.
What is the InChIKey of 5-(oxolan-3-ylmethyl)-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The InChIKey is CJRKXDVIEUIWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-4-24(14-20-10-21-16-25(20)6-1)12-18-9-19-13-23(5-2-7-26(19)22-18)11-17-3-8-27-15-17/h9-10,16-17H,1-8,11-15H2.
What are the key properties of 5-(oxolan-3-ylmethyl)-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
5-(oxolan-3-ylmethyl)-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine has a molecular weight of 370.50 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-3-ylmethyl)-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 56891126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).