5-(2-chlorophenyl)-7-fluoro-N,N,3-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-amine

C19H17ClFN5 — CID 135424271

IUPAC5-(2-chlorophenyl)-7-fluoro-N,N,3-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-amine
SMILESCc1[nH]nc2c1N=C(c1ccccc1Cl)c1cc(F)c(N(C)C)cc1N2
InChIInChI=1S/C19H17ClFN5/c1-10-17-19(25-24-10)22-15-9-16(26(2)3)14(21)8-12(15)18(23-17)11-6-4-5-7-13(11)20/h4-9H,1-3H3,(H2,22,24,25)
InChIKeyLKRYCYSSFVOLIV-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.80
Rot. Bonds2

About 5-(2-chlorophenyl)-7-fluoro-N,N,3-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-amine

5-(2-chlorophenyl)-7-fluoro-N,N,3-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-amine (PubChem CID 135424271) has the molecular formula C19H17ClFN5 and a molecular weight of 369.83 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-7-fluoro-N,N,3-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-7-fluoro-N,N,3-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-amine
PubChem CID135424271
Molecular FormulaC19H17ClFN5
Molecular Weight369.83 g/mol
Exact Mass369.12
IUPAC Name5-(2-chlorophenyl)-7-fluoro-N,N,3-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-amine
SMILESCc1[nH]nc2c1N=C(c1ccccc1Cl)c1cc(F)c(N(C)C)cc1N2
InChIInChI=1S/C19H17ClFN5/c1-10-17-19(25-24-10)22-15-9-16(26(2)3)14(21)8-12(15)18(23-17)11-6-4-5-7-13(11)20/h4-9H,1-3H3,(H2,22,24,25)
InChIKeyLKRYCYSSFVOLIV-UHFFFAOYSA-N
XLogP4.80
TPSA56.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2-chlorophenyl)-7-fluoro-N,N,3-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-amine with MolForge

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Related Compounds

PharmaGSID_48505
CID 86287525
5-(2-Chlorophenyl)-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-7-amine
CID 135444580
5-(2-Chlorophenyl)-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 136002545
7-Fluoro-3-methyl-5-phenyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 135484509
Sdccgrch-0000005.P001
CID 135484603
3-Methyl-5-phenyl-2,10-dihydrobenzo[e]pyrazolo[4,3-b][1,4]diazepine
CID 136002530
7-Fluoro-5-(2-fluorophenyl)-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 136002531
7-Chloro-5-(2-fluorophenyl)-1,10-dihydropyrazolo[5,4-b][1,4]benzodiazepine
CID 136002540
5-(2-Chlorophenyl)-1,10-dihydropyrazolo[5,4-b][1,4]benzodiazepin-7-amine
CID 136002661
5-(2-Chlorophenyl)-7-nitro-3-(trifluoromethyl)-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 136002664
5-(2-Fluorophenyl)-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 136002667
7-Chloro-5-phenyl-2,10-dihydrobenzo[e]pyrazolo[4,3-b][1,4]diazepine
CID 136002668

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-7-fluoro-N,N,3-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-amine?
The IUPAC name of 5-(2-chlorophenyl)-7-fluoro-N,N,3-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-amine (CID 135424271) is 5-(2-chlorophenyl)-7-fluoro-N,N,3-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-7-fluoro-N,N,3-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-amine?
The canonical SMILES for 5-(2-chlorophenyl)-7-fluoro-N,N,3-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-amine is Cc1[nH]nc2c1N=C(c1ccccc1Cl)c1cc(F)c(N(C)C)cc1N2.
What is the InChIKey of 5-(2-chlorophenyl)-7-fluoro-N,N,3-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-amine?
The InChIKey is LKRYCYSSFVOLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN5/c1-10-17-19(25-24-10)22-15-9-16(26(2)3)14(21)8-12(15)18(23-17)11-6-4-5-7-13(11)20/h4-9H,1-3H3,(H2,22,24,25).
What are the key properties of 5-(2-chlorophenyl)-7-fluoro-N,N,3-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-amine?
5-(2-chlorophenyl)-7-fluoro-N,N,3-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-amine has a molecular weight of 369.83 g/mol, XLogP of 4.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-7-fluoro-N,N,3-trimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-8-amine is sourced from PubChem (CID 135424271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).