3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;1-(2-cyclopropyl-5-methyl-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-[2-(3,3-difluorocyclobutyl)-3-pyridinyl]-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one

C114H152F2N14O8 — CID 158360145

About 3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;1-(2-cyclopropyl-5-methyl-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-[2-(3,3-difluorocyclobutyl)-3-pyridinyl]-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one

3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;1-(2-cyclopropyl-5-methyl-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-[2-(3,3-difluorocyclobutyl)-3-pyridinyl]-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one (PubChem CID 158360145) has the molecular formula C114H152F2N14O8 and a molecular weight of 1884.56 g/mol. Its IUPAC name is 3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;1-(2-cyclopropyl-5-methyl-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-[2-(3,3-difluorocyclobutyl)-3-pyridinyl]-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one.

Molecular Properties

• Compound Name: 3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;1-(2-cyclopropyl-5-methyl-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-[2-(3,3-difluorocyclobutyl)-3-pyridinyl]-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one
• PubChem CID: 158360145
• Molecular Formula: C114H152F2N14O8
• Molecular Weight: 1884.56 g/mol
• Exact Mass: 1883.19
• IUPAC Name: 3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;1-(2-cyclopropyl-5-methyl-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-[2-(3,3-difluorocyclobutyl)-3-pyridinyl]-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one
• SMILES: C=C(O)C(c1cccnc1C1CCC1)N1CC[C@@H](OCCCC[C@@H]2CCc3cccnc3C2)C1.C=C(O)C(c1cccnc1C1CCC1)N1CC[C@@H](OCCCC[C@H]2CCc3cccnc3C2)C1.CC(=O)C(c1cc(C)cnc1C1CC1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.CC(=O)C(c1cccnc1C1CC(F)(F)C1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1
• InChI: InChI=1S/2C29H39N3O2.C28H36F2N4O2.C28H38N4O2/c2*1-21(33)29(26-11-6-16-31-28(26)24-8-4-9-24)32-17-14-25(20-32)34-18-3-2-7-22-12-13-23-10-5-15-30-27(23)19-22;1-19(35)26(24-8-5-12-31-25(24)21-16-28(29,30)17-21)34-14-11-23(18-34)36-15-3-2-7-22-10-9-20-6-4-13-32-27(20)33-22;1-19-16-25(26(30-17-19)21-8-9-21)27(20(2)33)32-14-12-24(18-32)34-15-4-3-7-23-11-10-22-6-5-13-29-28(22)31-23/h2*5-6,10-11,15-16,22,24-25,29,33H,1-4,7-9,12-14,17-20H2;5,8-10,12,21,23,26H,2-4,6-7,11,13-18H2,1H3,(H,32,33);10-11,16-17,21,24,27H,3-9,12-15,18H2,1-2H3,(H,29,31)/t22-,25+,29?;22-,25-,29?;23-,26?;24-,27?/m0111/s1
• InChIKey: GTJFPRGEPPBYEC-ZDNDORRESA-N
• XLogP: 21.70
• TPSA: 251.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 40
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1884.56
LogP ≤ 5	21.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;1-(2-cyclopropyl-5-methyl-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-[2-(3,3-difluorocyclobutyl)-3-pyridinyl]-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one?

The IUPAC name of 3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;1-(2-cyclopropyl-5-methyl-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-[2-(3,3-difluorocyclobutyl)-3-pyridinyl]-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one (CID 158360145) is 3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;1-(2-cyclopropyl-5-methyl-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-[2-(3,3-difluorocyclobutyl)-3-pyridinyl]-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one.

What is the SMILES notation for 3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;1-(2-cyclopropyl-5-methyl-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-[2-(3,3-difluorocyclobutyl)-3-pyridinyl]-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one?

The canonical SMILES for 3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;1-(2-cyclopropyl-5-methyl-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-[2-(3,3-difluorocyclobutyl)-3-pyridinyl]-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one is C=C(O)C(c1cccnc1C1CCC1)N1CC[C@@H](OCCCC[C@@H]2CCc3cccnc3C2)C1.C=C(O)C(c1cccnc1C1CCC1)N1CC[C@@H](OCCCC[C@H]2CCc3cccnc3C2)C1.CC(=O)C(c1cc(C)cnc1C1CC1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.CC(=O)C(c1cccnc1C1CC(F)(F)C1)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.

What is the InChIKey of 3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;1-(2-cyclopropyl-5-methyl-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-[2-(3,3-difluorocyclobutyl)-3-pyridinyl]-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one?

The InChIKey is GTJFPRGEPPBYEC-ZDNDORRESA-N. The full InChI is InChI=1S/2C29H39N3O2.C28H36F2N4O2.C28H38N4O2/c2*1-21(33)29(26-11-6-16-31-28(26)24-8-4-9-24)32-17-14-25(20-32)34-18-3-2-7-22-12-13-23-10-5-15-30-27(23)19-22;1-19(35)26(24-8-5-12-31-25(24)21-16-28(29,30)17-21)34-14-11-23(18-34)36-15-3-2-7-22-10-9-20-6-4-13-32-27(20)33-22;1-19-16-25(26(30-17-19)21-8-9-21)27(20(2)33)32-14-12-24(18-32)34-15-4-3-7-23-11-10-22-6-5-13-29-28(22)31-23/h2*5-6,10-11,15-16,22,24-25,29,33H,1-4,7-9,12-14,17-20H2;5,8-10,12,21,23,26H,2-4,6-7,11,13-18H2,1H3,(H,32,33);10-11,16-17,21,24,27H,3-9,12-15,18H2,1-2H3,(H,29,31)/t22-,25+,29?;22-,25-,29?;23-,26?;24-,27?/m0111/s1.

What are the key properties of 3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;1-(2-cyclopropyl-5-methyl-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-[2-(3,3-difluorocyclobutyl)-3-pyridinyl]-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one?

3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;1-(2-cyclopropyl-5-methyl-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-[2-(3,3-difluorocyclobutyl)-3-pyridinyl]-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one has a molecular weight of 1884.56 g/mol, XLogP of 21.70, 40 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;1-(2-cyclopropyl-5-methyl-3-pyridinyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;1-[2-(3,3-difluorocyclobutyl)-3-pyridinyl]-1-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one is sourced from PubChem (CID 158360145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).