(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone

C23H24F2N4O2 — CID 121383182

IUPAC(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone
SMILESO=C(C1CC2C(C1)C2(F)F)N1Cc2cccnc2Nc2ccc(N3CCOCC3)cc21
InChIInChI=1S/C23H24F2N4O2/c24-23(25)17-10-15(11-18(17)23)22(30)29-13-14-2-1-5-26-21(14)27-19-4-3-16(12-20(19)29)28-6-8-31-9-7-28/h1-5,12,15,17-18H,6-11,13H2,(H,26,27)
InChIKeyHOPMEMZGFNKSEX-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.80
Rot. Bonds2

About (6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone

(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone (PubChem CID 121383182) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is (6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone.

Molecular Properties

Compound Name(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone
PubChem CID121383182
Molecular FormulaC23H24F2N4O2
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone
SMILESO=C(C1CC2C(C1)C2(F)F)N1Cc2cccnc2Nc2ccc(N3CCOCC3)cc21
InChIInChI=1S/C23H24F2N4O2/c24-23(25)17-10-15(11-18(17)23)22(30)29-13-14-2-1-5-26-21(14)27-19-4-3-16(12-20(19)29)28-6-8-31-9-7-28/h1-5,12,15,17-18H,6-11,13H2,(H,26,27)
InChIKeyHOPMEMZGFNKSEX-UHFFFAOYSA-N
XLogP3.80
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone?
The IUPAC name of (6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone (CID 121383182) is (6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone.
What is the SMILES notation for (6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone?
The canonical SMILES for (6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone is O=C(C1CC2C(C1)C2(F)F)N1Cc2cccnc2Nc2ccc(N3CCOCC3)cc21.
What is the InChIKey of (6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone?
The InChIKey is HOPMEMZGFNKSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c24-23(25)17-10-15(11-18(17)23)22(30)29-13-14-2-1-5-26-21(14)27-19-4-3-16(12-20(19)29)28-6-8-31-9-7-28/h1-5,12,15,17-18H,6-11,13H2,(H,26,27).
What are the key properties of (6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone?
(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone has a molecular weight of 426.47 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone is sourced from PubChem (CID 121383182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).