2-[1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

C19H22FN5O — CID 95876020

IUPAC2-[1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESCOc1ccc([C@@H](C)n2ccnc2-c2cc3n(n2)CCCNC3)cc1F
InChIInChI=1S/C19H22FN5O/c1-13(14-4-5-18(26-2)16(20)10-14)24-9-7-22-19(24)17-11-15-12-21-6-3-8-25(15)23-17/h4-5,7,9-11,13,21H,3,6,8,12H2,1-2H3/t13-/m1/s1
InChIKeyHBKWWPFSKXIYAI-CYBMUJFWSA-N
MW355.42 g/mol
LogP3.00
Rot. Bonds4

About 2-[1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

2-[1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (PubChem CID 95876020) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name2-[1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
PubChem CID95876020
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name2-[1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESCOc1ccc([C@@H](C)n2ccnc2-c2cc3n(n2)CCCNC3)cc1F
InChIInChI=1S/C19H22FN5O/c1-13(14-4-5-18(26-2)16(20)10-14)24-9-7-22-19(24)17-11-15-12-21-6-3-8-25(15)23-17/h4-5,7,9-11,13,21H,3,6,8,12H2,1-2H3/t13-/m1/s1
InChIKeyHBKWWPFSKXIYAI-CYBMUJFWSA-N
XLogP3.00
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[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-[(2-methoxyphenyl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 70768659
5-methoxy-6-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 154894726
2-[1-[2-(4-methylpiperazin-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56910958
3-pyridin-2-yl-5-[(1R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 95867987
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171168811
2-[1-(3-methylsulfanylphenyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 70765573
methyl 4-methoxy-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]benzoate
CID 70781917
4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol
CID 56910784
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
1-[(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methyl]-1,4-diazepane
CID 4300406
1'-[1-(3-fluoro-4-methoxyphenyl)ethyl]spiro[2-azabicyclo[3.1.1]hepta-1,3,5-triene-7,2'-piperazine]
CID 18403774
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 2-[1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (CID 95876020) is 2-[1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 2-[1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 2-[1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is COc1ccc([C@@H](C)n2ccnc2-c2cc3n(n2)CCCNC3)cc1F.
What is the InChIKey of 2-[1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The InChIKey is HBKWWPFSKXIYAI-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-13(14-4-5-18(26-2)16(20)10-14)24-9-7-22-19(24)17-11-15-12-21-6-3-8-25(15)23-17/h4-5,7,9-11,13,21H,3,6,8,12H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
2-[1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine has a molecular weight of 355.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 95876020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).