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

C31H30FN7O4 — CID 165016562

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

(4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(tetrazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one (PubChem CID 165016562) has the molecular formula C31H30FN7O4 and a molecular weight of 583.62 g/mol. Its IUPAC name is (4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(tetrazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one.

Molecular Properties

• Compound Name: (4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(tetrazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one
• PubChem CID: 165016562
• Molecular Formula: C31H30FN7O4
• Molecular Weight: 583.62 g/mol
• Exact Mass: 583.23
• IUPAC Name: (4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(tetrazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one
• SMILES: COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2cnnn2)C2CC2)cc2cn(C)nc12
• InChI: InChI=1S/C31H30FN7O4/c1-30(39-17-33-36-37-39)16-43-29-23(30)14-26(34-28(29)18-4-8-22(32)9-5-18)31(41,21-6-7-21)11-10-24(40)19-12-20-15-38(2)35-27(20)25(13-19)42-3/h4-5,8-9,12-15,17,21,41H,6-7,10-11,16H2,1-3H3/t30-,31+/m0/s1
• InChIKey: KMZYDDNFAPIEEL-IOWSJCHKSA-N
• XLogP: 4.19
• TPSA: 130.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.62
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of (4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(tetrazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one (CID 165016562) is (4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(tetrazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one.

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

The canonical SMILES for (4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(tetrazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one is COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2cnnn2)C2CC2)cc2cn(C)nc12.

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

The InChIKey is KMZYDDNFAPIEEL-IOWSJCHKSA-N. The full InChI is InChI=1S/C31H30FN7O4/c1-30(39-17-33-36-37-39)16-43-29-23(30)14-26(34-28(29)18-4-8-22(32)9-5-18)31(41,21-6-7-21)11-10-24(40)19-12-20-15-38(2)35-27(20)25(13-19)42-3/h4-5,8-9,12-15,17,21,41H,6-7,10-11,16H2,1-3H3/t30-,31+/m0/s1.

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

(4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(tetrazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one has a molecular weight of 583.62 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(tetrazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one is sourced from PubChem (CID 165016562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).