7-chloro-2-ethyl-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one

C19H17ClN4O — CID 53318642

IUPAC7-chloro-2-ethyl-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one
SMILESCCn1cc2c(n1)N(C)c1ccc(Cl)cc1N(c1ccccc1)C2=O
InChIInChI=1S/C19H17ClN4O/c1-3-23-12-15-18(21-23)22(2)16-10-9-13(20)11-17(16)24(19(15)25)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKeyVVPIBKSVJBQHDY-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.62
Rot. Bonds2

About 7-chloro-2-ethyl-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one

7-chloro-2-ethyl-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one (PubChem CID 53318642) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 7-chloro-2-ethyl-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one.

Molecular Properties

Compound Name7-chloro-2-ethyl-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one
PubChem CID53318642
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name7-chloro-2-ethyl-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one
SMILESCCn1cc2c(n1)N(C)c1ccc(Cl)cc1N(c1ccccc1)C2=O
InChIInChI=1S/C19H17ClN4O/c1-3-23-12-15-18(21-23)22(2)16-10-9-13(20)11-17(16)24(19(15)25)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKeyVVPIBKSVJBQHDY-UHFFFAOYSA-N
XLogP4.62
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethyl-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one?
The IUPAC name of 7-chloro-2-ethyl-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one (CID 53318642) is 7-chloro-2-ethyl-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one.
What is the SMILES notation for 7-chloro-2-ethyl-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one?
The canonical SMILES for 7-chloro-2-ethyl-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one is CCn1cc2c(n1)N(C)c1ccc(Cl)cc1N(c1ccccc1)C2=O.
What is the InChIKey of 7-chloro-2-ethyl-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one?
The InChIKey is VVPIBKSVJBQHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-3-23-12-15-18(21-23)22(2)16-10-9-13(20)11-17(16)24(19(15)25)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3.
What are the key properties of 7-chloro-2-ethyl-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one?
7-chloro-2-ethyl-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one has a molecular weight of 352.83 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethyl-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one is sourced from PubChem (CID 53318642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).