5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide

C32H29F6N5O3 — CID 149203740

IUPAC5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
SMILESNC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(CN3CCOCC3)c(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F
InChIInChI=1S/C32H29F6N5O3/c33-23-11-19(12-24(34)15-23)10-21(29-26(2-1-5-40-29)20-3-4-28(35)27(14-20)31(39)45)13-25(44)18-43-17-22(30(41-43)32(36,37)38)16-42-6-8-46-9-7-42/h1-5,11-12,14-15,17,21H,6-10,13,16,18H2,(H2,39,45)/t21-/m1/s1
InChIKeyXFEVWHXKOVBQKV-OAQYLSRUSA-N
MW645.60 g/mol
LogP5.30
Rot. Bonds11

About 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide

5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (PubChem CID 149203740) has the molecular formula C32H29F6N5O3 and a molecular weight of 645.60 g/mol. Its IUPAC name is 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
PubChem CID149203740
Molecular FormulaC32H29F6N5O3
Molecular Weight645.60 g/mol
Exact Mass645.22
IUPAC Name5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
SMILESNC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(CN3CCOCC3)c(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F
InChIInChI=1S/C32H29F6N5O3/c33-23-11-19(12-24(34)15-23)10-21(29-26(2-1-5-40-29)20-3-4-28(35)27(14-20)31(39)45)13-25(44)18-43-17-22(30(41-43)32(36,37)38)16-42-6-8-46-9-7-42/h1-5,11-12,14-15,17,21H,6-10,13,16,18H2,(H2,39,45)/t21-/m1/s1
InChIKeyXFEVWHXKOVBQKV-OAQYLSRUSA-N
XLogP5.30
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.60
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide with MolForge

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Related Compounds

Quinoline derivative 6
CID 89554734
4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 117641885
(S)-8-Fluoro-4-(1-methyl-1H-pyrazol-4-yl)-7-((2-(trifluoromethyl)morpholino)methyl)quinoline-2-carboxamide
CID 89545211
Wgy5L2V9GM
CID 89545222
N-[6-methyl-5-(5-morpholin-4-ylpyridazin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 86296509
4-(1-Methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 123400501
4-(1-Ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 71565961
4-[1-(2,2,2-Trifluoroethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 71565963
(R)-8-Fluoro-4-(1-methyl-1H-pyrazol-4-yl)-7-((2-(trifluoromethyl)morpholino)methyl)quinoline-2-carboxamide
CID 89545260
4-[1-(Difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 89554787
4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 89554788
4-[1-(fluoromethyl)pyrazol-4-yl]-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 89554789

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide (CID 149203740) is 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(CN3CCOCC3)c(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.
What is the InChIKey of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The InChIKey is XFEVWHXKOVBQKV-OAQYLSRUSA-N. The full InChI is InChI=1S/C32H29F6N5O3/c33-23-11-19(12-24(34)15-23)10-21(29-26(2-1-5-40-29)20-3-4-28(35)27(14-20)31(39)45)13-25(44)18-43-17-22(30(41-43)32(36,37)38)16-42-6-8-46-9-7-42/h1-5,11-12,14-15,17,21H,6-10,13,16,18H2,(H2,39,45)/t21-/m1/s1.
What are the key properties of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 645.60 g/mol, XLogP of 5.30, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 149203740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).