(3S,4R)-4-(2,4-difluorophenyl)-N-[1-[(4-methyl-2-morpholin-4-ylphenyl)methyl]imidazol-2-yl]-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide

C32H34F2N6O2 — CID 140907846

About (3S,4R)-4-(2,4-difluorophenyl)-N-[1-[(4-methyl-2-morpholin-4-ylphenyl)methyl]imidazol-2-yl]-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide

(3S,4R)-4-(2,4-difluorophenyl)-N-[1-[(4-methyl-2-morpholin-4-ylphenyl)methyl]imidazol-2-yl]-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide (PubChem CID 140907846) has the molecular formula C32H34F2N6O2 and a molecular weight of 572.66 g/mol. Its IUPAC name is (3S,4R)-4-(2,4-difluorophenyl)-N-[1-[(4-methyl-2-morpholin-4-ylphenyl)methyl]imidazol-2-yl]-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S,4R)-4-(2,4-difluorophenyl)-N-[1-[(4-methyl-2-morpholin-4-ylphenyl)methyl]imidazol-2-yl]-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide
• PubChem CID: 140907846
• Molecular Formula: C32H34F2N6O2
• Molecular Weight: 572.66 g/mol
• Exact Mass: 572.27
• IUPAC Name: (3S,4R)-4-(2,4-difluorophenyl)-N-[1-[(4-methyl-2-morpholin-4-ylphenyl)methyl]imidazol-2-yl]-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide
• SMILES: Cc1ccc(Cn2ccnc2NC(=O)[C@@H]2CN(c3ccnc(C)c3)C[C@H]2c2ccc(F)cc2F)c(N2CCOCC2)c1
• InChI: InChI=1S/C32H34F2N6O2/c1-21-3-4-23(30(15-21)38-11-13-42-14-12-38)18-39-10-9-36-32(39)37-31(41)28-20-40(25-7-8-35-22(2)16-25)19-27(28)26-6-5-24(33)17-29(26)34/h3-10,15-17,27-28H,11-14,18-20H2,1-2H3,(H,36,37,41)/t27-,28+/m0/s1
• InChIKey: CZGXCTDOMDYVKA-WUFINQPMSA-N
• XLogP: 4.92
• TPSA: 75.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.66
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(2,4-difluorophenyl)-N-[1-[(4-methyl-2-morpholin-4-ylphenyl)methyl]imidazol-2-yl]-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide?

The IUPAC name of (3S,4R)-4-(2,4-difluorophenyl)-N-[1-[(4-methyl-2-morpholin-4-ylphenyl)methyl]imidazol-2-yl]-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide (CID 140907846) is (3S,4R)-4-(2,4-difluorophenyl)-N-[1-[(4-methyl-2-morpholin-4-ylphenyl)methyl]imidazol-2-yl]-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide.

What is the SMILES notation for (3S,4R)-4-(2,4-difluorophenyl)-N-[1-[(4-methyl-2-morpholin-4-ylphenyl)methyl]imidazol-2-yl]-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide?

The canonical SMILES for (3S,4R)-4-(2,4-difluorophenyl)-N-[1-[(4-methyl-2-morpholin-4-ylphenyl)methyl]imidazol-2-yl]-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide is Cc1ccc(Cn2ccnc2NC(=O)[C@@H]2CN(c3ccnc(C)c3)C[C@H]2c2ccc(F)cc2F)c(N2CCOCC2)c1.

What is the InChIKey of (3S,4R)-4-(2,4-difluorophenyl)-N-[1-[(4-methyl-2-morpholin-4-ylphenyl)methyl]imidazol-2-yl]-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide?

The InChIKey is CZGXCTDOMDYVKA-WUFINQPMSA-N. The full InChI is InChI=1S/C32H34F2N6O2/c1-21-3-4-23(30(15-21)38-11-13-42-14-12-38)18-39-10-9-36-32(39)37-31(41)28-20-40(25-7-8-35-22(2)16-25)19-27(28)26-6-5-24(33)17-29(26)34/h3-10,15-17,27-28H,11-14,18-20H2,1-2H3,(H,36,37,41)/t27-,28+/m0/s1.

What are the key properties of (3S,4R)-4-(2,4-difluorophenyl)-N-[1-[(4-methyl-2-morpholin-4-ylphenyl)methyl]imidazol-2-yl]-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide?

(3S,4R)-4-(2,4-difluorophenyl)-N-[1-[(4-methyl-2-morpholin-4-ylphenyl)methyl]imidazol-2-yl]-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide has a molecular weight of 572.66 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R)-4-(2,4-difluorophenyl)-N-[1-[(4-methyl-2-morpholin-4-ylphenyl)methyl]imidazol-2-yl]-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 140907846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).