2-[1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride

C20H25Cl2N5 — CID 154893410

IUPAC2-[1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)CCC[C@@H]2n1ccnc1-c1cc2n(n1)CCCNC2
InChIInChI=1S/C20H23N5.2ClH/c1-2-7-17-15(5-1)6-3-8-19(17)24-12-10-22-20(24)18-13-16-14-21-9-4-11-25(16)23-18;;/h1-2,5,7,10,12-13,19,21H,3-4,6,8-9,11,14H2;2*1H/t19-;;/m0../s1
InChIKeyQZJWVFFMAPCVPX-TXEPZDRESA-N
MW406.36 g/mol
LogP4.01
Rot. Bonds2

About 2-[1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride

2-[1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride (PubChem CID 154893410) has the molecular formula C20H25Cl2N5 and a molecular weight of 406.36 g/mol. Its IUPAC name is 2-[1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride.

Molecular Properties

Compound Name2-[1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride
PubChem CID154893410
Molecular FormulaC20H25Cl2N5
Molecular Weight406.36 g/mol
Exact Mass405.15
IUPAC Name2-[1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)CCC[C@@H]2n1ccnc1-c1cc2n(n1)CCCNC2
InChIInChI=1S/C20H23N5.2ClH/c1-2-7-17-15(5-1)6-3-8-19(17)24-12-10-22-20(24)18-13-16-14-21-9-4-11-25(16)23-18;;/h1-2,5,7,10,12-13,19,21H,3-4,6,8-9,11,14H2;2*1H/t19-;;/m0../s1
InChIKeyQZJWVFFMAPCVPX-TXEPZDRESA-N
XLogP4.01
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride 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

N,N-dimethyl-1-(2-methylphenyl)-2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethanamine;dihydrochloride
CID 154895189
(4R)-1-(4-fluorophenyl)-4-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]pyrrolidin-2-one
CID 95874630
2-[1-[(2-pyrazol-1-ylphenyl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride
CID 154894352
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316741
2-[1-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride
CID 154893169
2-[1-[(3-phenylpyrazolidin-4-yl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 78084607
4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol
CID 56910784
2-[1-(3-methylsulfanylphenyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 70765573
2-[1-(9H-fluoren-2-yl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 154894546
2-[1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 95897586
5-benzyl-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 154893561
1-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide
CID 173080411

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride?
The IUPAC name of 2-[1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride (CID 154893410) is 2-[1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride.
What is the SMILES notation for 2-[1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride?
The canonical SMILES for 2-[1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride is Cl.Cl.c1ccc2c(c1)CCC[C@@H]2n1ccnc1-c1cc2n(n1)CCCNC2.
What is the InChIKey of 2-[1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride?
The InChIKey is QZJWVFFMAPCVPX-TXEPZDRESA-N. The full InChI is InChI=1S/C20H23N5.2ClH/c1-2-7-17-15(5-1)6-3-8-19(17)24-12-10-22-20(24)18-13-16-14-21-9-4-11-25(16)23-18;;/h1-2,5,7,10,12-13,19,21H,3-4,6,8-9,11,14H2;2*1H/t19-;;/m0../s1.
What are the key properties of 2-[1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride?
2-[1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride has a molecular weight of 406.36 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride is sourced from PubChem (CID 154893410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).