11-(5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one

C20H21N5O2 — CID 19801684

IUPAC11-(5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
SMILESCN1CC2CCN(C(=O)N3c4ccccc4NC(=O)c4cccnc43)C2C1
InChIInChI=1S/C20H21N5O2/c1-23-11-13-8-10-24(17(13)12-23)20(27)25-16-7-3-2-6-15(16)22-19(26)14-5-4-9-21-18(14)25/h2-7,9,13,17H,8,10-12H2,1H3,(H,22,26)
InChIKeyVVSRBURTTRPACP-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.54
Rot. Bonds

About 11-(5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one

11-(5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one (PubChem CID 19801684) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 11-(5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one.

Molecular Properties

Compound Name11-(5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
PubChem CID19801684
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name11-(5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
SMILESCN1CC2CCN(C(=O)N3c4ccccc4NC(=O)c4cccnc43)C2C1
InChIInChI=1S/C20H21N5O2/c1-23-11-13-8-10-24(17(13)12-23)20(27)25-16-7-3-2-6-15(16)22-19(26)14-5-4-9-21-18(14)25/h2-7,9,13,17H,8,10-12H2,1H3,(H,22,26)
InChIKeyVVSRBURTTRPACP-UHFFFAOYSA-N
XLogP2.54
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 11-(5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one with MolForge

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Related Compounds

11-(5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 19801682
11-(1-methyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 19801656
11-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 15106905
11-[3-(2-pyrrolidin-1-ylethyl)azepane-1-carbonyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
CID 54275556
11-(3-methyl-3,6-diazabicyclo[3.2.0]heptane-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
CID 54109989
11-(6-methyl-3,6-diazabicyclo[3.2.0]heptane-3-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 67888237
11-[2-[2-[3-(diethylamino)propyl-methylamino]ethyl]piperidine-1-carbonyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
CID 15057340
11-(7-ethyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
CID 15107509
11-[3-[2-(dibutylamino)ethyl]piperidine-1-carbonyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
CID 23048776
11-[2-[2-(1-methylpyrrolidin-2-yl)ethylamino]acetyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one;dihydrochloride
CID 70383566
11-[2-[ethyl-[2-(1-methylpyrrolidin-2-yl)ethyl]amino]acetyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
CID 14674792
11-[6-(4-methylpiperazin-1-yl)hexyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 14552100

Frequently Asked Questions

What is the IUPAC name of 11-(5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one?
The IUPAC name of 11-(5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one (CID 19801684) is 11-(5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one.
What is the SMILES notation for 11-(5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one?
The canonical SMILES for 11-(5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one is CN1CC2CCN(C(=O)N3c4ccccc4NC(=O)c4cccnc43)C2C1.
What is the InChIKey of 11-(5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one?
The InChIKey is VVSRBURTTRPACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-23-11-13-8-10-24(17(13)12-23)20(27)25-16-7-3-2-6-15(16)22-19(26)14-5-4-9-21-18(14)25/h2-7,9,13,17H,8,10-12H2,1H3,(H,22,26).
What are the key properties of 11-(5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one?
11-(5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one has a molecular weight of 363.42 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one is sourced from PubChem (CID 19801684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).