N-[[3-fluoro-5-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]-2-morpholin-4-yl-2-oxoacetamide

C23H24FN7O3 — CID 67525933

IUPACN-[[3-fluoro-5-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]-2-morpholin-4-yl-2-oxoacetamide
SMILESCNc1nc2[nH]c(-c3cc(F)cc(CNC(=O)C(=O)N4CCOCC4)c3)cc2c2c1ncn2C
InChIInChI=1S/C23H24FN7O3/c1-25-21-18-19(30(2)12-27-18)16-10-17(28-20(16)29-21)14-7-13(8-15(24)9-14)11-26-22(32)23(33)31-3-5-34-6-4-31/h7-10,12H,3-6,11H2,1-2H3,(H,26,32)(H2,25,28,29)
InChIKeyFRWINKFAYKYTHT-UHFFFAOYSA-N
MW465.49 g/mol
LogP1.77
Rot. Bonds4

About N-[[3-fluoro-5-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]-2-morpholin-4-yl-2-oxoacetamide

N-[[3-fluoro-5-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]-2-morpholin-4-yl-2-oxoacetamide (PubChem CID 67525933) has the molecular formula C23H24FN7O3 and a molecular weight of 465.49 g/mol. Its IUPAC name is N-[[3-fluoro-5-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]-2-morpholin-4-yl-2-oxoacetamide.

Molecular Properties

Compound NameN-[[3-fluoro-5-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]-2-morpholin-4-yl-2-oxoacetamide
PubChem CID67525933
Molecular FormulaC23H24FN7O3
Molecular Weight465.49 g/mol
Exact Mass465.19
IUPAC NameN-[[3-fluoro-5-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]-2-morpholin-4-yl-2-oxoacetamide
SMILESCNc1nc2[nH]c(-c3cc(F)cc(CNC(=O)C(=O)N4CCOCC4)c3)cc2c2c1ncn2C
InChIInChI=1S/C23H24FN7O3/c1-25-21-18-19(30(2)12-27-18)16-10-17(28-20(16)29-21)14-7-13(8-15(24)9-14)11-26-22(32)23(33)31-3-5-34-6-4-31/h7-10,12H,3-6,11H2,1-2H3,(H,26,32)(H2,25,28,29)
InChIKeyFRWINKFAYKYTHT-UHFFFAOYSA-N
XLogP1.77
TPSA117.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[[3-fluoro-5-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]-2-morpholin-4-yl-2-oxoacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]-2-morpholin-4-yl-2-oxoacetamide?
The IUPAC name of N-[[3-fluoro-5-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]-2-morpholin-4-yl-2-oxoacetamide (CID 67525933) is N-[[3-fluoro-5-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]-2-morpholin-4-yl-2-oxoacetamide.
What is the SMILES notation for N-[[3-fluoro-5-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]-2-morpholin-4-yl-2-oxoacetamide?
The canonical SMILES for N-[[3-fluoro-5-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]-2-morpholin-4-yl-2-oxoacetamide is CNc1nc2[nH]c(-c3cc(F)cc(CNC(=O)C(=O)N4CCOCC4)c3)cc2c2c1ncn2C.
What is the InChIKey of N-[[3-fluoro-5-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]-2-morpholin-4-yl-2-oxoacetamide?
The InChIKey is FRWINKFAYKYTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O3/c1-25-21-18-19(30(2)12-27-18)16-10-17(28-20(16)29-21)14-7-13(8-15(24)9-14)11-26-22(32)23(33)31-3-5-34-6-4-31/h7-10,12H,3-6,11H2,1-2H3,(H,26,32)(H2,25,28,29).
What are the key properties of N-[[3-fluoro-5-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]-2-morpholin-4-yl-2-oxoacetamide?
N-[[3-fluoro-5-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]-2-morpholin-4-yl-2-oxoacetamide has a molecular weight of 465.49 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]-2-morpholin-4-yl-2-oxoacetamide is sourced from PubChem (CID 67525933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).