N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[(1R)-3-(trifluoromethyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide

C22H29F3N6O — CID 143237266

IUPACN-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[(1R)-3-(trifluoromethyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
SMILESCc1cc(CNC(=O)C2CCCN2C[C@@H]2CCCC(C(F)(F)F)C2)nc(-n2ccnc2)n1
InChIInChI=1S/C22H29F3N6O/c1-15-10-18(29-21(28-15)31-9-7-26-14-31)12-27-20(32)19-6-3-8-30(19)13-16-4-2-5-17(11-16)22(23,24)25/h7,9-10,14,16-17,19H,2-6,8,11-13H2,1H3,(H,27,32)/t16-,17?,19?/m1/s1
InChIKeyHFXLGIHLLORJBR-LRYGQEGESA-N
MW450.51 g/mol
LogP3.42
Rot. Bonds6

About N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[(1R)-3-(trifluoromethyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide

N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[(1R)-3-(trifluoromethyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 143237266) has the molecular formula C22H29F3N6O and a molecular weight of 450.51 g/mol. Its IUPAC name is N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[(1R)-3-(trifluoromethyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[(1R)-3-(trifluoromethyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
PubChem CID143237266
Molecular FormulaC22H29F3N6O
Molecular Weight450.51 g/mol
Exact Mass450.24
IUPAC NameN-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[(1R)-3-(trifluoromethyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
SMILESCc1cc(CNC(=O)C2CCCN2C[C@@H]2CCCC(C(F)(F)F)C2)nc(-n2ccnc2)n1
InChIInChI=1S/C22H29F3N6O/c1-15-10-18(29-21(28-15)31-9-7-26-14-31)12-27-20(32)19-6-3-8-30(19)13-16-4-2-5-17(11-16)22(23,24)25/h7,9-10,14,16-17,19H,2-6,8,11-13H2,1H3,(H,27,32)/t16-,17?,19?/m1/s1
InChIKeyHFXLGIHLLORJBR-LRYGQEGESA-N
XLogP3.42
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[(1R)-3-(trifluoromethyl)cyclohexyl]methyl]pyrrolidine-2-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-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[(1R)-3-(trifluoromethyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[(1R)-3-(trifluoromethyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide (CID 143237266) is N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[(1R)-3-(trifluoromethyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[(1R)-3-(trifluoromethyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[(1R)-3-(trifluoromethyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide is Cc1cc(CNC(=O)C2CCCN2C[C@@H]2CCCC(C(F)(F)F)C2)nc(-n2ccnc2)n1.
What is the InChIKey of N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[(1R)-3-(trifluoromethyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is HFXLGIHLLORJBR-LRYGQEGESA-N. The full InChI is InChI=1S/C22H29F3N6O/c1-15-10-18(29-21(28-15)31-9-7-26-14-31)12-27-20(32)19-6-3-8-30(19)13-16-4-2-5-17(11-16)22(23,24)25/h7,9-10,14,16-17,19H,2-6,8,11-13H2,1H3,(H,27,32)/t16-,17?,19?/m1/s1.
What are the key properties of N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[(1R)-3-(trifluoromethyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide?
N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[(1R)-3-(trifluoromethyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 450.51 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[(1R)-3-(trifluoromethyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 143237266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).