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;1-[(3R)-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;1-[(1S,2S)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(1R,2R)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxycyclopentyl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol

C134H185F5N18O8 — CID 163755811

About 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;1-[(3R)-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;1-[(1S,2S)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(1R,2R)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxycyclopentyl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(3-propan-2-ylpyrrolo[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;1-[(3R)-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;1-[(1S,2S)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(1R,2R)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxycyclopentyl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol (PubChem CID 163755811) has the molecular formula C134H185F5N18O8 and a molecular weight of 2271.06 g/mol. Its IUPAC name is 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;1-[(3R)-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;1-[(1S,2S)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(1R,2R)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxycyclopentyl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol.

Molecular Properties

• Compound Name: 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;1-[(3R)-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;1-[(1S,2S)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(1R,2R)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxycyclopentyl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol
• PubChem CID: 163755811
• Molecular Formula: C134H185F5N18O8
• Molecular Weight: 2271.06 g/mol
• Exact Mass: 2269.45
• IUPAC Name: 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;1-[(3R)-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;1-[(1S,2S)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(1R,2R)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxycyclopentyl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol
• SMILES: 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.CC(C)c1cn(CCCO)c2ncccc12.CC(C)c1cn([C@@H]2CCN(CCF)C2)c2ncccc12.COC1CCCC1n1cc(C(C)C)c2cccnc21.CO[C@@H]1CCC[C@H]1n1cc(C(C)C)c2cccnc21.CO[C@H]1CCC[C@@H]1n1cc(C(C)C)c2cccnc21
• InChI: InChI=1S/2C16H22FN3.3C16H22N2O.C15H23NO2.C13H17F2NO.C13H17FN2O.C13H18N2O/c2*1-12(2)15-11-20(16-14(15)4-3-7-18-16)13-5-8-19(10-13)9-6-17;3*1-11(2)13-10-18(14-7-4-8-15(14)19-3)16-12(13)6-5-9-17-16;1-11(2)9-12-5-4-8-16(15(12)18)13-6-3-7-14(17)10-13;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;1-10(2)12-9-15(7-4-8-16)13-11(12)5-3-6-14-13/h2*3-4,7,11-13H,5-6,8-10H2,1-2H3;3*5-6,9-11,14-15H,4,7-8H2,1-3H3;4-5,8,11,13-14,17H,3,6-7,9-10H2,1-2H3;3-5,9,11H,6-8H2,1-2H3;6-9,17H,3-5H2,1-2H3;3,5-6,9-10,16H,4,7-8H2,1-2H3/t13-;;2*14-,15-;;13-,14+;;;/m1.10.0.../s1
• InChIKey: LTXRWNHNWCOYEK-KYJPXWRMSA-N
• XLogP: 29.21
• TPSA: 263.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 31
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2271.06
LogP ≤ 5	29.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 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;1-[(3R)-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;1-[(1S,2S)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(1R,2R)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxycyclopentyl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol?

The IUPAC name of 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;1-[(3R)-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;1-[(1S,2S)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(1R,2R)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxycyclopentyl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol (CID 163755811) is 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;1-[(3R)-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;1-[(1S,2S)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(1R,2R)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxycyclopentyl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol.

What is the SMILES notation for 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;1-[(3R)-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;1-[(1S,2S)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(1R,2R)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxycyclopentyl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol?

The canonical SMILES for 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;1-[(3R)-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;1-[(1S,2S)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(1R,2R)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxycyclopentyl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol is 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.CC(C)c1cn(CCCO)c2ncccc12.CC(C)c1cn([C@@H]2CCN(CCF)C2)c2ncccc12.COC1CCCC1n1cc(C(C)C)c2cccnc21.CO[C@@H]1CCC[C@H]1n1cc(C(C)C)c2cccnc21.CO[C@H]1CCC[C@@H]1n1cc(C(C)C)c2cccnc21.

What is the InChIKey of 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;1-[(3R)-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;1-[(1S,2S)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(1R,2R)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxycyclopentyl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol?

The InChIKey is LTXRWNHNWCOYEK-KYJPXWRMSA-N. The full InChI is InChI=1S/2C16H22FN3.3C16H22N2O.C15H23NO2.C13H17F2NO.C13H17FN2O.C13H18N2O/c2*1-12(2)15-11-20(16-14(15)4-3-7-18-16)13-5-8-19(10-13)9-6-17;3*1-11(2)13-10-18(14-7-4-8-15(14)19-3)16-12(13)6-5-9-17-16;1-11(2)9-12-5-4-8-16(15(12)18)13-6-3-7-14(17)10-13;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;1-10(2)12-9-15(7-4-8-16)13-11(12)5-3-6-14-13/h2*3-4,7,11-13H,5-6,8-10H2,1-2H3;3*5-6,9-11,14-15H,4,7-8H2,1-3H3;4-5,8,11,13-14,17H,3,6-7,9-10H2,1-2H3;3-5,9,11H,6-8H2,1-2H3;6-9,17H,3-5H2,1-2H3;3,5-6,9-10,16H,4,7-8H2,1-2H3/t13-;;2*14-,15-;;13-,14+;;;/m1.10.0.../s1.

What are the key properties of 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;1-[(3R)-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;1-[(1S,2S)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(1R,2R)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxycyclopentyl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(3-propan-2-ylpyrrolo[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;1-[(3R)-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;1-[(1S,2S)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(1R,2R)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxycyclopentyl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol has a molecular weight of 2271.06 g/mol, XLogP of 29.21, 31 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 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;1-[(3R)-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;1-[(1S,2S)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-[(1R,2R)-2-methoxycyclopentyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxycyclopentyl)-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(3-propan-2-ylpyrrolo[2,3-b]pyridin-1-yl)propan-1-ol is sourced from PubChem (CID 163755811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).