[5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-yl]methanol

C18H14ClFN4O — CID 136507394

IUPAC[5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-yl]methanol
SMILESCc1[nH]nc2c1N=C(c1ccccc1Cl)c1cc(F)c(CO)cc1N2
InChIInChI=1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-15-6-10(8-25)14(20)7-12(15)17(22-16)11-4-2-3-5-13(11)19/h2-7,25H,8H2,1H3,(H2,21,23,24)
InChIKeySDXYCHIWXDBIRJ-UHFFFAOYSA-N
MW356.79 g/mol
LogP4.23
Rot. Bonds2

About [5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-yl]methanol

[5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-yl]methanol (PubChem CID 136507394) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-yl]methanol.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-yl]methanol
PubChem CID136507394
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC Name[5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-yl]methanol
SMILESCc1[nH]nc2c1N=C(c1ccccc1Cl)c1cc(F)c(CO)cc1N2
InChIInChI=1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-15-6-10(8-25)14(20)7-12(15)17(22-16)11-4-2-3-5-13(11)19/h2-7,25H,8H2,1H3,(H2,21,23,24)
InChIKeySDXYCHIWXDBIRJ-UHFFFAOYSA-N
XLogP4.23
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-Chlorophenyl)-7-nitro-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-3-yl]methanol
CID 135409554
1-(3-chloro-5-fluorophenyl)-3-[5-(difluoromethyl)-1H-pyrazol-3-yl]-2-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 123854669
5-(2-Chlorophenyl)-1,2-dihydro-7-methoxy-3-methyl-8-trifluoromethyl-pyrazolo[3,4-b][1,4]benzodiazepine
CID 135427982
5-(2-Chlorophenyl)-1,2-dihydro-8-fluoro-7-methoxy-3-methyl-pyrazolo[3,4-b][1,4]benzodiazepine
CID 135428189
5-(2-chlorophenyl)-7-fluoro-8-(hydroxymethyl)-3-methyl-10H-pyrazolo[5,4-b][1,4]benzodiazepine-1-carboxamide
CID 136507395
5-(2-Chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-ol
CID 136638824
5-(2-Chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 136334570
[3-[[5-(4-aminophenyl)-1H-pyrazol-3-yl]amino]-4-methylphenyl]methanol
CID 139391804

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-yl]methanol?
The IUPAC name of [5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-yl]methanol (CID 136507394) is [5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-yl]methanol.
What is the SMILES notation for [5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-yl]methanol?
The canonical SMILES for [5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-yl]methanol is Cc1[nH]nc2c1N=C(c1ccccc1Cl)c1cc(F)c(CO)cc1N2.
What is the InChIKey of [5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-yl]methanol?
The InChIKey is SDXYCHIWXDBIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-15-6-10(8-25)14(20)7-12(15)17(22-16)11-4-2-3-5-13(11)19/h2-7,25H,8H2,1H3,(H2,21,23,24).
What are the key properties of [5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-yl]methanol?
[5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-yl]methanol has a molecular weight of 356.79 g/mol, XLogP of 4.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-7-fluoro-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-yl]methanol is sourced from PubChem (CID 136507394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).