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

C20H19ClN4O2 — CID 53318544

IUPAC7-chloro-2-(2-methoxyethyl)-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one
SMILESCOCCn1cc2c(n1)N(C)c1ccc(Cl)cc1N(c1ccccc1)C2=O
InChIInChI=1S/C20H19ClN4O2/c1-23-17-9-8-14(21)12-18(17)25(15-6-4-3-5-7-15)20(26)16-13-24(10-11-27-2)22-19(16)23/h3-9,12-13H,10-11H2,1-2H3
InChIKeyCEUWUERWVRWGMM-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.24
Rot. Bonds4

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

7-chloro-2-(2-methoxyethyl)-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one (PubChem CID 53318544) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 7-chloro-2-(2-methoxyethyl)-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one.

Molecular Properties

Compound Name7-chloro-2-(2-methoxyethyl)-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one
PubChem CID53318544
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name7-chloro-2-(2-methoxyethyl)-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one
SMILESCOCCn1cc2c(n1)N(C)c1ccc(Cl)cc1N(c1ccccc1)C2=O
InChIInChI=1S/C20H19ClN4O2/c1-23-17-9-8-14(21)12-18(17)25(15-6-4-3-5-7-15)20(26)16-13-24(10-11-27-2)22-19(16)23/h3-9,12-13H,10-11H2,1-2H3
InChIKeyCEUWUERWVRWGMM-UHFFFAOYSA-N
XLogP4.24
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-methoxyethyl)-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one?
The IUPAC name of 7-chloro-2-(2-methoxyethyl)-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one (CID 53318544) is 7-chloro-2-(2-methoxyethyl)-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one.
What is the SMILES notation for 7-chloro-2-(2-methoxyethyl)-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one?
The canonical SMILES for 7-chloro-2-(2-methoxyethyl)-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one is COCCn1cc2c(n1)N(C)c1ccc(Cl)cc1N(c1ccccc1)C2=O.
What is the InChIKey of 7-chloro-2-(2-methoxyethyl)-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one?
The InChIKey is CEUWUERWVRWGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-23-17-9-8-14(21)12-18(17)25(15-6-4-3-5-7-15)20(26)16-13-24(10-11-27-2)22-19(16)23/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of 7-chloro-2-(2-methoxyethyl)-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one?
7-chloro-2-(2-methoxyethyl)-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one has a molecular weight of 382.85 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-methoxyethyl)-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one is sourced from PubChem (CID 53318544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).