4-[5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-8-yl]morpholine

C20H17F2N5O — CID 170547209

IUPAC4-[5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-8-yl]morpholine
SMILESFc1cccc(F)c1C1=Nc2cc(N3CCOCC3)ccc2-c2[nH]ncc2N1
InChIInChI=1S/C20H17F2N5O/c21-14-2-1-3-15(22)18(14)20-24-16-10-12(27-6-8-28-9-7-27)4-5-13(16)19-17(25-20)11-23-26-19/h1-5,10-11H,6-9H2,(H,23,26)(H,24,25)
InChIKeyUHUQEHBTLLAFHE-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.70
Rot. Bonds2

About 4-[5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-8-yl]morpholine

4-[5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-8-yl]morpholine (PubChem CID 170547209) has the molecular formula C20H17F2N5O and a molecular weight of 381.39 g/mol. Its IUPAC name is 4-[5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-8-yl]morpholine.

Molecular Properties

Compound Name4-[5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-8-yl]morpholine
PubChem CID170547209
Molecular FormulaC20H17F2N5O
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name4-[5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-8-yl]morpholine
SMILESFc1cccc(F)c1C1=Nc2cc(N3CCOCC3)ccc2-c2[nH]ncc2N1
InChIInChI=1S/C20H17F2N5O/c21-14-2-1-3-15(22)18(14)20-24-16-10-12(27-6-8-28-9-7-27)4-5-13(16)19-17(25-20)11-23-26-19/h1-5,10-11H,6-9H2,(H,23,26)(H,24,25)
InChIKeyUHUQEHBTLLAFHE-UHFFFAOYSA-N
XLogP3.70
TPSA65.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-8-yl]morpholine 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

1-[5-[[2-(cyclopropen-1-ylmethyl)-4-(morpholin-4-ylmethyl)anilino]methyl]-1H-pyrazol-4-yl]-3-(3,4-difluorophenyl)urea
CID 143254272
1-(3-fluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea
CID 143500418
1-[5-[(7aS)-6-(morpholin-4-ylmethyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-(2-fluorophenyl)urea
CID 143600694
1-(2,5-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea
CID 143600812
5-fluoro-1-methyl-3-(2-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one
CID 146479489
8-fluoro-1-methyl-3-(2-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one
CID 146479507
6-fluoro-1-methyl-3-(2-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one
CID 146479547
1-(2,6-difluorophenyl)-3-[5-[7-(morpholin-4-ylmethyl)-4,5-dihydro-1H-1-benzazepin-2-yl]-1H-pyrazol-4-yl]urea
CID 163999347
5-[2-(Trifluoromethyl)phenyl]-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine
CID 166043206
9-Methyl-5-(2,3,6-trifluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine
CID 166043207
5-(2,6-Difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-8-amine
CID 166043210
5-(2,6-Difluorophenyl)-9-ethyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine
CID 166043213

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-8-yl]morpholine?
The IUPAC name of 4-[5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-8-yl]morpholine (CID 170547209) is 4-[5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-8-yl]morpholine.
What is the SMILES notation for 4-[5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-8-yl]morpholine?
The canonical SMILES for 4-[5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-8-yl]morpholine is Fc1cccc(F)c1C1=Nc2cc(N3CCOCC3)ccc2-c2[nH]ncc2N1.
What is the InChIKey of 4-[5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-8-yl]morpholine?
The InChIKey is UHUQEHBTLLAFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O/c21-14-2-1-3-15(22)18(14)20-24-16-10-12(27-6-8-28-9-7-27)4-5-13(16)19-17(25-20)11-23-26-19/h1-5,10-11H,6-9H2,(H,23,26)(H,24,25).
What are the key properties of 4-[5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-8-yl]morpholine?
4-[5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-8-yl]morpholine has a molecular weight of 381.39 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-8-yl]morpholine is sourced from PubChem (CID 170547209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).