N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide

C45H45F4N11O6 — CID 161397463

IUPACN-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide
SMILESCn1ncc2ccc(N(Cc3ccc(-c4nnc(C(F)F)o4)cc3F)C(=O)N3CCOCC3)cc21.Cn1ncc2ccc(N(Cc3ccc(C(=O)CN)cc3F)C(=O)N3CCOCC3)cc21
InChIInChI=1S/C23H21F3N6O3.C22H24FN5O3/c1-30-19-11-17(5-4-15(19)12-27-30)32(23(33)31-6-8-34-9-7-31)13-16-3-2-14(10-18(16)24)21-28-29-22(35-21)20(25)26;1-26-20-11-18(5-4-16(20)13-25-26)28(22(30)27-6-8-31-9-7-27)14-17-3-2-15(10-19(17)23)21(29)12-24/h2-5,10-12,20H,6-9,13H2,1H3;2-5,10-11,13H,6-9,12,14,24H2,1H3
InChIKeyVTUGLTAPDZTJQJ-UHFFFAOYSA-N
MW911.92 g/mol
LogP6.47
Rot. Bonds10

About N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide

N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide (PubChem CID 161397463) has the molecular formula C45H45F4N11O6 and a molecular weight of 911.92 g/mol. Its IUPAC name is N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide
PubChem CID161397463
Molecular FormulaC45H45F4N11O6
Molecular Weight911.92 g/mol
Exact Mass911.35
IUPAC NameN-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide
SMILESCn1ncc2ccc(N(Cc3ccc(-c4nnc(C(F)F)o4)cc3F)C(=O)N3CCOCC3)cc21.Cn1ncc2ccc(N(Cc3ccc(C(=O)CN)cc3F)C(=O)N3CCOCC3)cc21
InChIInChI=1S/C23H21F3N6O3.C22H24FN5O3/c1-30-19-11-17(5-4-15(19)12-27-30)32(23(33)31-6-8-34-9-7-31)13-16-3-2-14(10-18(16)24)21-28-29-22(35-21)20(25)26;1-26-20-11-18(5-4-16(20)13-25-26)28(22(30)27-6-8-31-9-7-27)14-17-3-2-15(10-19(17)23)21(29)12-24/h2-5,10-12,20H,6-9,13H2,1H3;2-5,10-11,13H,6-9,12,14,24H2,1H3
InChIKeyVTUGLTAPDZTJQJ-UHFFFAOYSA-N
XLogP6.47
TPSA183.21 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500911.92
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide?
The IUPAC name of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide (CID 161397463) is N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide?
The canonical SMILES for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide is Cn1ncc2ccc(N(Cc3ccc(-c4nnc(C(F)F)o4)cc3F)C(=O)N3CCOCC3)cc21.Cn1ncc2ccc(N(Cc3ccc(C(=O)CN)cc3F)C(=O)N3CCOCC3)cc21.
What is the InChIKey of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide?
The InChIKey is VTUGLTAPDZTJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O3.C22H24FN5O3/c1-30-19-11-17(5-4-15(19)12-27-30)32(23(33)31-6-8-34-9-7-31)13-16-3-2-14(10-18(16)24)21-28-29-22(35-21)20(25)26;1-26-20-11-18(5-4-16(20)13-25-26)28(22(30)27-6-8-31-9-7-27)14-17-3-2-15(10-19(17)23)21(29)12-24/h2-5,10-12,20H,6-9,13H2,1H3;2-5,10-11,13H,6-9,12,14,24H2,1H3.
What are the key properties of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide?
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide has a molecular weight of 911.92 g/mol, XLogP of 6.47, 10 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide is sourced from PubChem (CID 161397463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).