(4R)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-4-hydroxy-1-(2-methylindazol-5-yl)butan-1-one

C29H29FN4O3 — CID 161405078

About (4R)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-4-hydroxy-1-(2-methylindazol-5-yl)butan-1-one

(4R)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-4-hydroxy-1-(2-methylindazol-5-yl)butan-1-one (PubChem CID 161405078) has the molecular formula C29H29FN4O3 and a molecular weight of 500.57 g/mol. Its IUPAC name is (4R)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-4-hydroxy-1-(2-methylindazol-5-yl)butan-1-one.

Molecular Properties

• Compound Name: (4R)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-4-hydroxy-1-(2-methylindazol-5-yl)butan-1-one
• PubChem CID: 161405078
• Molecular Formula: C29H29FN4O3
• Molecular Weight: 500.57 g/mol
• Exact Mass: 500.22
• IUPAC Name: (4R)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-4-hydroxy-1-(2-methylindazol-5-yl)butan-1-one
• SMILES: Cn1cc2cc(C(=O)CC[C@](O)(c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(C)N)C3CC3)ccc2n1
• InChI: InChI=1S/C29H29FN4O3/c1-28(31)16-37-27-22(28)14-25(32-26(27)17-3-8-21(30)9-4-17)29(36,20-6-7-20)12-11-24(35)18-5-10-23-19(13-18)15-34(2)33-23/h3-5,8-10,13-15,20,36H,6-7,11-12,16,31H2,1-2H3/t28-,29+/m0/s1
• InChIKey: VUSRNMXUKGGQHG-URLMMPGGSA-N
• XLogP: 4.60
• TPSA: 103.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.57
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (4R)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-4-hydroxy-1-(2-methylindazol-5-yl)butan-1-one (CID 161405078) is (4R)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-4-hydroxy-1-(2-methylindazol-5-yl)butan-1-one.

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

The canonical SMILES for (4R)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-4-hydroxy-1-(2-methylindazol-5-yl)butan-1-one is Cn1cc2cc(C(=O)CC[C@](O)(c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(C)N)C3CC3)ccc2n1.

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

The InChIKey is VUSRNMXUKGGQHG-URLMMPGGSA-N. The full InChI is InChI=1S/C29H29FN4O3/c1-28(31)16-37-27-22(28)14-25(32-26(27)17-3-8-21(30)9-4-17)29(36,20-6-7-20)12-11-24(35)18-5-10-23-19(13-18)15-34(2)33-23/h3-5,8-10,13-15,20,36H,6-7,11-12,16,31H2,1-2H3/t28-,29+/m0/s1.

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

(4R)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-4-hydroxy-1-(2-methylindazol-5-yl)butan-1-one has a molecular weight of 500.57 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-4-hydroxy-1-(2-methylindazol-5-yl)butan-1-one is sourced from PubChem (CID 161405078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).