11-(7-ethyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one

C22H25N5O2 — CID 15107509

IUPAC11-(7-ethyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
SMILESCCN1CCC2(CCN(C(=O)N3c4ccccc4NC(=O)c4cccnc43)C2)C1
InChIInChI=1S/C22H25N5O2/c1-2-25-12-9-22(14-25)10-13-26(15-22)21(29)27-18-8-4-3-7-17(18)24-20(28)16-6-5-11-23-19(16)27/h3-8,11H,2,9-10,12-15H2,1H3,(H,24,28)
InChIKeyDNBKMSPWCSSXPY-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.32
Rot. Bonds1

About 11-(7-ethyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one

11-(7-ethyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one (PubChem CID 15107509) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 11-(7-ethyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one.

Molecular Properties

Compound Name11-(7-ethyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
PubChem CID15107509
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name11-(7-ethyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
SMILESCCN1CCC2(CCN(C(=O)N3c4ccccc4NC(=O)c4cccnc43)C2)C1
InChIInChI=1S/C22H25N5O2/c1-2-25-12-9-22(14-25)10-13-26(15-22)21(29)27-18-8-4-3-7-17(18)24-20(28)16-6-5-11-23-19(16)27/h3-8,11H,2,9-10,12-15H2,1H3,(H,24,28)
InChIKeyDNBKMSPWCSSXPY-UHFFFAOYSA-N
XLogP3.32
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-(7-ethyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one?
The IUPAC name of 11-(7-ethyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one (CID 15107509) is 11-(7-ethyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one.
What is the SMILES notation for 11-(7-ethyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one?
The canonical SMILES for 11-(7-ethyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one is CCN1CCC2(CCN(C(=O)N3c4ccccc4NC(=O)c4cccnc43)C2)C1.
What is the InChIKey of 11-(7-ethyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one?
The InChIKey is DNBKMSPWCSSXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-2-25-12-9-22(14-25)10-13-26(15-22)21(29)27-18-8-4-3-7-17(18)24-20(28)16-6-5-11-23-19(16)27/h3-8,11H,2,9-10,12-15H2,1H3,(H,24,28).
What are the key properties of 11-(7-ethyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one?
11-(7-ethyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one has a molecular weight of 391.48 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(7-ethyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one is sourced from PubChem (CID 15107509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).