N,N-dimethyl-5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide

C22H26F3N7O — CID 135985534

IUPACN,N-dimethyl-5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide
SMILESC[C@@H]1CN(Cc2cn[nH]c2-c2cc(C(=O)N(C)C)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C22H26F3N7O/c1-14-12-31(6-7-32(14)19-5-4-17(11-27-19)22(23,24)25)13-16-10-28-29-20(16)18-8-15(9-26-18)21(33)30(2)3/h4-5,8-11,14,26H,6-7,12-13H2,1-3H3,(H,28,29)/t14-/m1/s1
InChIKeyGPPHWEXEFZKXIU-CQSZACIVSA-N
MW461.49 g/mol
LogP3.23
Rot. Bonds5

About N,N-dimethyl-5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide

N,N-dimethyl-5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide (PubChem CID 135985534) has the molecular formula C22H26F3N7O and a molecular weight of 461.49 g/mol. Its IUPAC name is N,N-dimethyl-5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide
PubChem CID135985534
Molecular FormulaC22H26F3N7O
Molecular Weight461.49 g/mol
Exact Mass461.22
IUPAC NameN,N-dimethyl-5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide
SMILESC[C@@H]1CN(Cc2cn[nH]c2-c2cc(C(=O)N(C)C)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C22H26F3N7O/c1-14-12-31(6-7-32(14)19-5-4-17(11-27-19)22(23,24)25)13-16-10-28-29-20(16)18-8-15(9-26-18)21(33)30(2)3/h4-5,8-11,14,26H,6-7,12-13H2,1-3H3,(H,28,29)/t14-/m1/s1
InChIKeyGPPHWEXEFZKXIU-CQSZACIVSA-N
XLogP3.23
TPSA84.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N,N-dimethyl-5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide (CID 135985534) is N,N-dimethyl-5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide is C[C@@H]1CN(Cc2cn[nH]c2-c2cc(C(=O)N(C)C)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N,N-dimethyl-5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide?
The InChIKey is GPPHWEXEFZKXIU-CQSZACIVSA-N. The full InChI is InChI=1S/C22H26F3N7O/c1-14-12-31(6-7-32(14)19-5-4-17(11-27-19)22(23,24)25)13-16-10-28-29-20(16)18-8-15(9-26-18)21(33)30(2)3/h4-5,8-11,14,26H,6-7,12-13H2,1-3H3,(H,28,29)/t14-/m1/s1.
What are the key properties of N,N-dimethyl-5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide?
N,N-dimethyl-5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 461.49 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 135985534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).