N-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

C24H29FN4O2 — CID 52534775

IUPACN-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
SMILESCC1=NN(c2ccc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cc2)CC1
InChIInChI=1S/C24H29FN4O2/c1-16-10-11-29(27-16)21-7-5-20(6-8-21)24(30)26-13-19-4-9-23(22(25)12-19)28-14-17(2)31-18(3)15-28/h4-9,12,17-18H,10-11,13-15H2,1-3H3,(H,26,30)/t17-,18-/m1/s1
InChIKeyYZVUDAXGEMZHIG-QZTJIDSGSA-N
MW424.52 g/mol
LogP3.96
Rot. Bonds5

About N-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

N-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide (PubChem CID 52534775) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
PubChem CID52534775
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC NameN-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
SMILESCC1=NN(c2ccc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cc2)CC1
InChIInChI=1S/C24H29FN4O2/c1-16-10-11-29(27-16)21-7-5-20(6-8-21)24(30)26-13-19-4-9-23(22(25)12-19)28-14-17(2)31-18(3)15-28/h4-9,12,17-18H,10-11,13-15H2,1-3H3,(H,26,30)/t17-,18-/m1/s1
InChIKeyYZVUDAXGEMZHIG-QZTJIDSGSA-N
XLogP3.96
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3,4-dimethylbenzamide
CID 55876400
4-carbamothioyl-N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]benzamide
CID 94840333
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 55876538
N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-methylfuran-2-carboxamide
CID 94617347
5-chloro-N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]furan-2-carboxamide
CID 55877945
2-chloro-N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]acetamide
CID 96582200
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboxamide
CID 60551160
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide
CID 166203769
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]cyclobutanecarboxamide
CID 47062619
1-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 55921434
1-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-[(2R)-2-hydroxypropyl]urea
CID 94679072
N-[3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55877442

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The IUPAC name of N-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide (CID 52534775) is N-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide.
What is the SMILES notation for N-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The canonical SMILES for N-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide is CC1=NN(c2ccc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cc2)CC1.
What is the InChIKey of N-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The InChIKey is YZVUDAXGEMZHIG-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-16-10-11-29(27-16)21-7-5-20(6-8-21)24(30)26-13-19-4-9-23(22(25)12-19)28-14-17(2)31-18(3)15-28/h4-9,12,17-18H,10-11,13-15H2,1-3H3,(H,26,30)/t17-,18-/m1/s1.
What are the key properties of N-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
N-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide has a molecular weight of 424.52 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide is sourced from PubChem (CID 52534775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).