(2R)-N-[1-[5-[4-[5-[2-[1-[[(2R)-5,5-difluoro-2-methyloxane-2-carbonyl]amino]-2-methylpropyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-5,5-difluoro-2-methyloxane-2-carboxamide

C39H47F4N7O4 — CID 130456490

About (2R)-N-[1-[5-[4-[5-[2-[1-[[(2R)-5,5-difluoro-2-methyloxane-2-carbonyl]amino]-2-methylpropyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-5,5-difluoro-2-methyloxane-2-carboxamide

(2R)-N-[1-[5-[4-[5-[2-[1-[[(2R)-5,5-difluoro-2-methyloxane-2-carbonyl]amino]-2-methylpropyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-5,5-difluoro-2-methyloxane-2-carboxamide (PubChem CID 130456490) has the molecular formula C39H47F4N7O4 and a molecular weight of 753.84 g/mol. Its IUPAC name is (2R)-N-[1-[5-[4-[5-[2-[1-[[(2R)-5,5-difluoro-2-methyloxane-2-carbonyl]amino]-2-methylpropyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-5,5-difluoro-2-methyloxane-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[1-[5-[4-[5-[2-[1-[[(2R)-5,5-difluoro-2-methyloxane-2-carbonyl]amino]-2-methylpropyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-5,5-difluoro-2-methyloxane-2-carboxamide
• PubChem CID: 130456490
• Molecular Formula: C39H47F4N7O4
• Molecular Weight: 753.84 g/mol
• Exact Mass: 753.36
• IUPAC Name: (2R)-N-[1-[5-[4-[5-[2-[1-[[(2R)-5,5-difluoro-2-methyloxane-2-carbonyl]amino]-2-methylpropyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-5,5-difluoro-2-methyloxane-2-carboxamide
• SMILES: CC(C)C(NC(=O)[C@@]1(C)CCC(F)(F)CO1)c1ncc(-c2ccc(-c3ccc(-c4cnc(C(NC(=O)[C@@]5(C)CCC(F)(F)CO5)C(C)C)[nH]4)cn3)cc2)[nH]1
• InChI: InChI=1S/C39H47F4N7O4/c1-22(2)30(49-34(51)36(5)13-15-38(40,41)20-53-36)32-45-18-28(47-32)25-9-7-24(8-10-25)27-12-11-26(17-44-27)29-19-46-33(48-29)31(23(3)4)50-35(52)37(6)14-16-39(42,43)21-54-37/h7-12,17-19,22-23,30-31H,13-16,20-21H2,1-6H3,(H,45,47)(H,46,48)(H,49,51)(H,50,52)/t30?,31?,36-,37-/m1/s1
• InChIKey: MVNHKLUWUJYRQN-MYXMEMRNSA-N
• XLogP: 7.56
• TPSA: 146.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.84
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[5-[4-[5-[2-[1-[[(2R)-5,5-difluoro-2-methyloxane-2-carbonyl]amino]-2-methylpropyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-5,5-difluoro-2-methyloxane-2-carboxamide?

The IUPAC name of (2R)-N-[1-[5-[4-[5-[2-[1-[[(2R)-5,5-difluoro-2-methyloxane-2-carbonyl]amino]-2-methylpropyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-5,5-difluoro-2-methyloxane-2-carboxamide (CID 130456490) is (2R)-N-[1-[5-[4-[5-[2-[1-[[(2R)-5,5-difluoro-2-methyloxane-2-carbonyl]amino]-2-methylpropyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-5,5-difluoro-2-methyloxane-2-carboxamide.

What is the SMILES notation for (2R)-N-[1-[5-[4-[5-[2-[1-[[(2R)-5,5-difluoro-2-methyloxane-2-carbonyl]amino]-2-methylpropyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-5,5-difluoro-2-methyloxane-2-carboxamide?

The canonical SMILES for (2R)-N-[1-[5-[4-[5-[2-[1-[[(2R)-5,5-difluoro-2-methyloxane-2-carbonyl]amino]-2-methylpropyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-5,5-difluoro-2-methyloxane-2-carboxamide is CC(C)C(NC(=O)[C@@]1(C)CCC(F)(F)CO1)c1ncc(-c2ccc(-c3ccc(-c4cnc(C(NC(=O)[C@@]5(C)CCC(F)(F)CO5)C(C)C)[nH]4)cn3)cc2)[nH]1.

What is the InChIKey of (2R)-N-[1-[5-[4-[5-[2-[1-[[(2R)-5,5-difluoro-2-methyloxane-2-carbonyl]amino]-2-methylpropyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-5,5-difluoro-2-methyloxane-2-carboxamide?

The InChIKey is MVNHKLUWUJYRQN-MYXMEMRNSA-N. The full InChI is InChI=1S/C39H47F4N7O4/c1-22(2)30(49-34(51)36(5)13-15-38(40,41)20-53-36)32-45-18-28(47-32)25-9-7-24(8-10-25)27-12-11-26(17-44-27)29-19-46-33(48-29)31(23(3)4)50-35(52)37(6)14-16-39(42,43)21-54-37/h7-12,17-19,22-23,30-31H,13-16,20-21H2,1-6H3,(H,45,47)(H,46,48)(H,49,51)(H,50,52)/t30?,31?,36-,37-/m1/s1.

What are the key properties of (2R)-N-[1-[5-[4-[5-[2-[1-[[(2R)-5,5-difluoro-2-methyloxane-2-carbonyl]amino]-2-methylpropyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-5,5-difluoro-2-methyloxane-2-carboxamide?

(2R)-N-[1-[5-[4-[5-[2-[1-[[(2R)-5,5-difluoro-2-methyloxane-2-carbonyl]amino]-2-methylpropyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-5,5-difluoro-2-methyloxane-2-carboxamide has a molecular weight of 753.84 g/mol, XLogP of 7.56, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[1-[5-[4-[5-[2-[1-[[(2R)-5,5-difluoro-2-methyloxane-2-carbonyl]amino]-2-methylpropyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-5,5-difluoro-2-methyloxane-2-carboxamide is sourced from PubChem (CID 130456490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).