2-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide

C19H21F3N8O — CID 135985532

IUPAC2-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide
SMILESC[C@@H]1CN(Cc2cn[nH]c2-c2ncc(C(N)=O)[nH]2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H21F3N8O/c1-11-9-29(4-5-30(11)15-3-2-13(7-24-15)19(20,21)22)10-12-6-26-28-16(12)18-25-8-14(27-18)17(23)31/h2-3,6-8,11H,4-5,9-10H2,1H3,(H2,23,31)(H,25,27)(H,26,28)/t11-/m1/s1
InChIKeyPWJODWZOFNAWSU-LLVKDONJSA-N
MW434.43 g/mol
LogP2.02
Rot. Bonds5

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

2-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide (PubChem CID 135985532) has the molecular formula C19H21F3N8O and a molecular weight of 434.43 g/mol. Its IUPAC name is 2-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide
PubChem CID135985532
Molecular FormulaC19H21F3N8O
Molecular Weight434.43 g/mol
Exact Mass434.18
IUPAC Name2-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide
SMILESC[C@@H]1CN(Cc2cn[nH]c2-c2ncc(C(N)=O)[nH]2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H21F3N8O/c1-11-9-29(4-5-30(11)15-3-2-13(7-24-15)19(20,21)22)10-12-6-26-28-16(12)18-25-8-14(27-18)17(23)31/h2-3,6-8,11H,4-5,9-10H2,1H3,(H2,23,31)(H,25,27)(H,26,28)/t11-/m1/s1
InChIKeyPWJODWZOFNAWSU-LLVKDONJSA-N
XLogP2.02
TPSA119.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

Fn-1501
CID 72195175
8-[1-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
CID 44236421
1-(4-((1H-pyrazol-1-yl)methyl)benzyl)-N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)-1H-imidazole-4-carboxamide
CID 56836188
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(difluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]imidazole-4-carboxamide
CID 156825841
1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-(difluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]triazole-4-carboxamide
CID 156825849
1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-(difluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]imidazole-4-carboxamide
CID 156825864
Plasma kallikrein-IN-1
CID 156825884
5-[(4-fluoropiperidin-4-yl)methylamino]-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71624712
N-[4-(diethylaminomethyl)phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 137653003
8-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
CID 11495641
8-(1-phenylpyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione
CID 11545341
8-(1-(4-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione
CID 11547107

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide (CID 135985532) is 2-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide is C[C@@H]1CN(Cc2cn[nH]c2-c2ncc(C(N)=O)[nH]2)CCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide?
The InChIKey is PWJODWZOFNAWSU-LLVKDONJSA-N. The full InChI is InChI=1S/C19H21F3N8O/c1-11-9-29(4-5-30(11)15-3-2-13(7-24-15)19(20,21)22)10-12-6-26-28-16(12)18-25-8-14(27-18)17(23)31/h2-3,6-8,11H,4-5,9-10H2,1H3,(H2,23,31)(H,25,27)(H,26,28)/t11-/m1/s1.
What are the key properties of 2-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide?
2-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide has a molecular weight of 434.43 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 135985532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).