(4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-cyclopropyloxyindazol-5-yl)-4-hydroxybutan-1-one

C34H34F2N4O4 — CID 159312376

About (4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-cyclopropyloxyindazol-5-yl)-4-hydroxybutan-1-one

(4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-cyclopropyloxyindazol-5-yl)-4-hydroxybutan-1-one (PubChem CID 159312376) has the molecular formula C34H34F2N4O4 and a molecular weight of 600.67 g/mol. Its IUPAC name is (4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-cyclopropyloxyindazol-5-yl)-4-hydroxybutan-1-one.

Molecular Properties

• Compound Name: (4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-cyclopropyloxyindazol-5-yl)-4-hydroxybutan-1-one
• PubChem CID: 159312376
• Molecular Formula: C34H34F2N4O4
• Molecular Weight: 600.67 g/mol
• Exact Mass: 600.25
• IUPAC Name: (4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-cyclopropyloxyindazol-5-yl)-4-hydroxybutan-1-one
• SMILES: C[C@]1(N)COc2c1cc([C@@](O)(CCC(=O)c1cc(OC3CC3)c3nn(C4CC4)cc3c1)C1CC1)nc2-c1ccc(F)c(F)c1
• InChI: InChI=1S/C34H34F2N4O4/c1-33(37)17-43-32-24(33)15-29(38-31(32)18-2-9-25(35)26(36)13-18)34(42,21-3-4-21)11-10-27(41)19-12-20-16-40(22-5-6-22)39-30(20)28(14-19)44-23-7-8-23/h2,9,12-16,21-23,42H,3-8,10-11,17,37H2,1H3/t33-,34+/m0/s1
• InChIKey: LCSBUHQFKBUWAS-SZAHLOSFSA-N
• XLogP: 6.08
• TPSA: 112.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.67
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-cyclopropyloxyindazol-5-yl)-4-hydroxybutan-1-one?

The IUPAC name of (4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-cyclopropyloxyindazol-5-yl)-4-hydroxybutan-1-one (CID 159312376) is (4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-cyclopropyloxyindazol-5-yl)-4-hydroxybutan-1-one.

What is the SMILES notation for (4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-cyclopropyloxyindazol-5-yl)-4-hydroxybutan-1-one?

The canonical SMILES for (4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-cyclopropyloxyindazol-5-yl)-4-hydroxybutan-1-one is C[C@]1(N)COc2c1cc([C@@](O)(CCC(=O)c1cc(OC3CC3)c3nn(C4CC4)cc3c1)C1CC1)nc2-c1ccc(F)c(F)c1.

What is the InChIKey of (4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-cyclopropyloxyindazol-5-yl)-4-hydroxybutan-1-one?

The InChIKey is LCSBUHQFKBUWAS-SZAHLOSFSA-N. The full InChI is InChI=1S/C34H34F2N4O4/c1-33(37)17-43-32-24(33)15-29(38-31(32)18-2-9-25(35)26(36)13-18)34(42,21-3-4-21)11-10-27(41)19-12-20-16-40(22-5-6-22)39-30(20)28(14-19)44-23-7-8-23/h2,9,12-16,21-23,42H,3-8,10-11,17,37H2,1H3/t33-,34+/m0/s1.

What are the key properties of (4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-cyclopropyloxyindazol-5-yl)-4-hydroxybutan-1-one?

(4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-cyclopropyloxyindazol-5-yl)-4-hydroxybutan-1-one has a molecular weight of 600.67 g/mol, XLogP of 6.08, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-cyclopropyloxyindazol-5-yl)-4-hydroxybutan-1-one is sourced from PubChem (CID 159312376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).