3-tert-butyl-1-[(1S,2S)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine;3-(3-tert-butylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one

C122H171F4N15O8 — CID 161452705

About 3-tert-butyl-1-[(1S,2S)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine;3-(3-tert-butylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one

3-tert-butyl-1-[(1S,2S)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine;3-(3-tert-butylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one (PubChem CID 161452705) has the molecular formula C122H171F4N15O8 and a molecular weight of 2051.80 g/mol. Its IUPAC name is 3-tert-butyl-1-[(1S,2S)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine;3-(3-tert-butylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one.

Molecular Properties

• Compound Name: 3-tert-butyl-1-[(1S,2S)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine;3-(3-tert-butylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one
• PubChem CID: 161452705
• Molecular Formula: C122H171F4N15O8
• Molecular Weight: 2051.80 g/mol
• Exact Mass: 2050.34
• IUPAC Name: 3-tert-butyl-1-[(1S,2S)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine;3-(3-tert-butylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one
• SMILES: CC(C)(C)c1cn(CCCO)c2ncccc12.CC(C)Cc1cccn(C2CC(F)(F)C2)c1=O.CC(C)Cc1cccn([C@H]2CCC[C@@H](O)C2)c1=O.CC(C)c1cn(C2CCN(CCF)C2)c2ncccc12.CC(C)c1cn(CCCO)c2ncc(F)cc12.COC1CCCC1n1cc(C(C)(C)C)c2cccnc21.CO[C@@H]1CCC[C@H]1n1cc(C(C)(C)C)c2cccnc21.CO[C@H]1CCC[C@@H]1n1cc(C(C)(C)C)c2cccnc21
• InChI: InChI=1S/3C17H24N2O.C16H22FN3.C15H23NO2.C14H20N2O.C13H17F2NO.C13H17FN2O/c3*1-17(2,3)13-11-19(14-8-5-9-15(14)20-4)16-12(13)7-6-10-18-16;1-12(2)15-11-20(16-14(15)4-3-7-18-16)13-5-8-19(10-13)9-6-17;1-11(2)9-12-5-4-8-16(15(12)18)13-6-3-7-14(17)10-13;1-14(2,3)12-10-16(8-5-9-17)13-11(12)6-4-7-15-13;1-9(2)6-10-4-3-5-16(12(10)17)11-7-13(14,15)8-11;1-9(2)12-8-16(4-3-5-17)13-11(12)6-10(14)7-15-13/h3*6-7,10-11,14-15H,5,8-9H2,1-4H3;3-4,7,11-13H,5-6,8-10H2,1-2H3;4-5,8,11,13-14,17H,3,6-7,9-10H2,1-2H3;4,6-7,10,17H,5,8-9H2,1-3H3;3-5,9,11H,6-8H2,1-2H3;6-9,17H,3-5H2,1-2H3/t2*14-,15-;;;13-,14+;;;/m10..0.../s1
• InChIKey: WASYYHXIBBUELF-RFRSXTIXSA-N
• XLogP: 26.53
• TPSA: 242.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2051.80
LogP ≤ 5	26.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[(1S,2S)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine;3-(3-tert-butylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one?

The IUPAC name of 3-tert-butyl-1-[(1S,2S)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine;3-(3-tert-butylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one (CID 161452705) is 3-tert-butyl-1-[(1S,2S)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine;3-(3-tert-butylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one.

What is the SMILES notation for 3-tert-butyl-1-[(1S,2S)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine;3-(3-tert-butylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one?

The canonical SMILES for 3-tert-butyl-1-[(1S,2S)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine;3-(3-tert-butylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one is CC(C)(C)c1cn(CCCO)c2ncccc12.CC(C)Cc1cccn(C2CC(F)(F)C2)c1=O.CC(C)Cc1cccn([C@H]2CCC[C@@H](O)C2)c1=O.CC(C)c1cn(C2CCN(CCF)C2)c2ncccc12.CC(C)c1cn(CCCO)c2ncc(F)cc12.COC1CCCC1n1cc(C(C)(C)C)c2cccnc21.CO[C@@H]1CCC[C@H]1n1cc(C(C)(C)C)c2cccnc21.CO[C@H]1CCC[C@@H]1n1cc(C(C)(C)C)c2cccnc21.

What is the InChIKey of 3-tert-butyl-1-[(1S,2S)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine;3-(3-tert-butylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one?

The InChIKey is WASYYHXIBBUELF-RFRSXTIXSA-N. The full InChI is InChI=1S/3C17H24N2O.C16H22FN3.C15H23NO2.C14H20N2O.C13H17F2NO.C13H17FN2O/c3*1-17(2,3)13-11-19(14-8-5-9-15(14)20-4)16-12(13)7-6-10-18-16;1-12(2)15-11-20(16-14(15)4-3-7-18-16)13-5-8-19(10-13)9-6-17;1-11(2)9-12-5-4-8-16(15(12)18)13-6-3-7-14(17)10-13;1-14(2,3)12-10-16(8-5-9-17)13-11(12)6-4-7-15-13;1-9(2)6-10-4-3-5-16(12(10)17)11-7-13(14,15)8-11;1-9(2)12-8-16(4-3-5-17)13-11(12)6-10(14)7-15-13/h3*6-7,10-11,14-15H,5,8-9H2,1-4H3;3-4,7,11-13H,5-6,8-10H2,1-2H3;4-5,8,11,13-14,17H,3,6-7,9-10H2,1-2H3;4,6-7,10,17H,5,8-9H2,1-3H3;3-5,9,11H,6-8H2,1-2H3;6-9,17H,3-5H2,1-2H3/t2*14-,15-;;;13-,14+;;;/m10..0.../s1.

What are the key properties of 3-tert-butyl-1-[(1S,2S)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine;3-(3-tert-butylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one?

3-tert-butyl-1-[(1S,2S)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine;3-(3-tert-butylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one has a molecular weight of 2051.80 g/mol, XLogP of 26.53, 23 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-1-[(1S,2S)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridine;3-tert-butyl-1-(2-methoxycyclopentyl)pyrrolo[2,3-b]pyridine;3-(3-tert-butylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(5-fluoro-3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 161452705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).