N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide

C21H28F3N5O3 — CID 146402428

IUPACN-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESCc1c([C@@H]2CN(C)C[C@H]2NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)cnn1C
InChIInChI=1S/C21H28F3N5O3/c1-13-14(9-26-29(13)5)15-10-28(4)11-16(15)27-19(30)20(2,3)12-31-18-17(7-6-8-25-18)32-21(22,23)24/h6-9,15-16H,10-12H2,1-5H3,(H,27,30)/t15-,16+/m0/s1
InChIKeyUMFSMEZBNPSGCV-JKSUJKDBSA-N
MW455.48 g/mol
LogP2.64
Rot. Bonds7

About N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide

N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (PubChem CID 146402428) has the molecular formula C21H28F3N5O3 and a molecular weight of 455.48 g/mol. Its IUPAC name is N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
PubChem CID146402428
Molecular FormulaC21H28F3N5O3
Molecular Weight455.48 g/mol
Exact Mass455.21
IUPAC NameN-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESCc1c([C@@H]2CN(C)C[C@H]2NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)cnn1C
InChIInChI=1S/C21H28F3N5O3/c1-13-14(9-26-29(13)5)15-10-28(4)11-16(15)27-19(30)20(2,3)12-31-18-17(7-6-8-25-18)32-21(22,23)24/h6-9,15-16H,10-12H2,1-5H3,(H,27,30)/t15-,16+/m0/s1
InChIKeyUMFSMEZBNPSGCV-JKSUJKDBSA-N
XLogP2.64
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methylpyrazol-4-yl)-N-[(3S,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]acetamide
CID 138670790
US11045457, Example 115
CID 146402382
N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)oxyacetamide
CID 155347276
2-(1-methylpyrazol-4-yl)oxy-N-[4-[2-[2-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide
CID 155347485
US11045457, Example 19
CID 146401844
US11045457, Example 180
CID 146401991
US11045457, Example 29
CID 146402024
US11045457, Example 167
CID 146402128
US11045457, Example 16
CID 146402202
US11045457, Example 116
CID 146402203
US11045457, Example 25
CID 146402305
US11045457, Example 169
CID 146402362

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The IUPAC name of N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (CID 146402428) is N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is Cc1c([C@@H]2CN(C)C[C@H]2NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)cnn1C.
What is the InChIKey of N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The InChIKey is UMFSMEZBNPSGCV-JKSUJKDBSA-N. The full InChI is InChI=1S/C21H28F3N5O3/c1-13-14(9-26-29(13)5)15-10-28(4)11-16(15)27-19(30)20(2,3)12-31-18-17(7-6-8-25-18)32-21(22,23)24/h6-9,15-16H,10-12H2,1-5H3,(H,27,30)/t15-,16+/m0/s1.
What are the key properties of N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide has a molecular weight of 455.48 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146402428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).