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]morpholine-3-carboxamide

C22H24FN7O2 — CID 67526717

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]morpholine-3-carboxamide
SMILESCNc1nc2[nH]c(-c3cc(F)cc(CNC(=O)C4COCCN4)c3)cc2c2c1ncn2C
InChIInChI=1S/C22H24FN7O2/c1-24-21-18-19(30(2)11-27-18)15-8-16(28-20(15)29-21)13-5-12(6-14(23)7-13)9-26-22(31)17-10-32-4-3-25-17/h5-8,11,17,25H,3-4,9-10H2,1-2H3,(H,26,31)(H2,24,28,29)
InChIKeyGNOMCSQFPJMAQF-UHFFFAOYSA-N
MW437.48 g/mol
LogP1.90
Rot. Bonds5

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]morpholine-3-carboxamide

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]morpholine-3-carboxamide (PubChem CID 67526717) has the molecular formula C22H24FN7O2 and a molecular weight of 437.48 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]morpholine-3-carboxamide.

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]morpholine-3-carboxamide
PubChem CID67526717
Molecular FormulaC22H24FN7O2
Molecular Weight437.48 g/mol
Exact Mass437.20
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]morpholine-3-carboxamide
SMILESCNc1nc2[nH]c(-c3cc(F)cc(CNC(=O)C4COCCN4)c3)cc2c2c1ncn2C
InChIInChI=1S/C22H24FN7O2/c1-24-21-18-19(30(2)11-27-18)15-8-16(28-20(15)29-21)13-5-12(6-14(23)7-13)9-26-22(31)17-10-32-4-3-25-17/h5-8,11,17,25H,3-4,9-10H2,1-2H3,(H,26,31)(H2,24,28,29)
InChIKeyGNOMCSQFPJMAQF-UHFFFAOYSA-N
XLogP1.90
TPSA108.89 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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]morpholine-3-carboxamide 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]morpholine-3-carboxamide?
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]morpholine-3-carboxamide (CID 67526717) 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]morpholine-3-carboxamide.
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]morpholine-3-carboxamide?
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]morpholine-3-carboxamide is CNc1nc2[nH]c(-c3cc(F)cc(CNC(=O)C4COCCN4)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]morpholine-3-carboxamide?
The InChIKey is GNOMCSQFPJMAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O2/c1-24-21-18-19(30(2)11-27-18)15-8-16(28-20(15)29-21)13-5-12(6-14(23)7-13)9-26-22(31)17-10-32-4-3-25-17/h5-8,11,17,25H,3-4,9-10H2,1-2H3,(H,26,31)(H2,24,28,29).
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]morpholine-3-carboxamide?
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]morpholine-3-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 1.90, 5 rotatable bonds, 4 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]morpholine-3-carboxamide is sourced from PubChem (CID 67526717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).