tert-butyl 3-aminopyrrolidine-1-carboxylate;7-chloro-3-(2,6-difluorophenyl)-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]methanol;3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;1-(2,6-difluorophenyl)propan-2-one;dioxomanganese;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;5-fluoropyridin-2-amine;methane

C114H132Cl6F8MnN22O15 — CID 158836912

About tert-butyl 3-aminopyrrolidine-1-carboxylate;7-chloro-3-(2,6-difluorophenyl)-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]methanol;3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;1-(2,6-difluorophenyl)propan-2-one;dioxomanganese;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;5-fluoropyridin-2-amine;methane

tert-butyl 3-aminopyrrolidine-1-carboxylate;7-chloro-3-(2,6-difluorophenyl)-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]methanol;3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;1-(2,6-difluorophenyl)propan-2-one;dioxomanganese;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;5-fluoropyridin-2-amine;methane (PubChem CID 158836912) has the molecular formula C114H132Cl6F8MnN22O15 and a molecular weight of 2470.09 g/mol. Its IUPAC name is tert-butyl 3-aminopyrrolidine-1-carboxylate;7-chloro-3-(2,6-difluorophenyl)-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]methanol;3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;1-(2,6-difluorophenyl)propan-2-one;dioxomanganese;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;5-fluoropyridin-2-amine;methane.

Molecular Properties

• Compound Name: tert-butyl 3-aminopyrrolidine-1-carboxylate;7-chloro-3-(2,6-difluorophenyl)-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]methanol;3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;1-(2,6-difluorophenyl)propan-2-one;dioxomanganese;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;5-fluoropyridin-2-amine;methane
• PubChem CID: 158836912
• Molecular Formula: C114H132Cl6F8MnN22O15
• Molecular Weight: 2470.09 g/mol
• Exact Mass: 2465.76
• IUPAC Name: tert-butyl 3-aminopyrrolidine-1-carboxylate;7-chloro-3-(2,6-difluorophenyl)-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]methanol;3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;1-(2,6-difluorophenyl)propan-2-one;dioxomanganese;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;5-fluoropyridin-2-amine;methane
• SMILES: C.CC(=O)Cc1c(F)cccc1F.CC(C)(C)OC(=O)N1CCC(N)C1.CCOC(=O)c1cnc(Cl)cc1Cl.CCOC(=O)c1cnc(Cl)cc1NC1CCN(C(=O)OC(C)(C)C)C1.CN1CCC(Nc2cc(Cl)ncc2C=O)C1.CN1CCC(Nc2cc(Cl)ncc2CO)C1.CN1CCC(n2c(=O)c(-c3c(F)cccc3F)cc3cnc(Cl)cc32)C1.CN1CCC(n2c(=O)c(-c3c(F)cccc3F)cc3cnc(Nc4ccc(F)cn4)cc32)C1.Nc1ccc(F)cn1.O=[Mn]=O
• InChI: InChI=1S/C24H20F3N5O.C19H16ClF2N3O.C17H24ClN3O4.C11H16ClN3O.C11H14ClN3O.C9H8F2O.C9H18N2O2.C8H7Cl2NO2.C5H5FN2.CH4.Mn.2O/c1-31-8-7-16(13-31)32-20-10-22(30-21-6-5-15(25)12-29-21)28-11-14(20)9-17(24(32)33)23-18(26)3-2-4-19(23)27;1-24-6-5-12(10-24)25-16-8-17(20)23-9-11(16)7-13(19(25)26)18-14(21)3-2-4-15(18)22;1-5-24-15(22)12-9-19-14(18)8-13(12)20-11-6-7-21(10-11)16(23)25-17(2,3)4;2*1-15-3-2-9(6-15)14-10-4-11(12)13-5-8(10)7-16;1-6(12)5-7-8(10)3-2-4-9(7)11;1-9(2,3)13-8(12)11-5-4-7(10)6-11;1-2-13-8(12)5-4-11-7(10)3-6(5)9;6-4-1-2-5(7)8-3-4;;;;/h2-6,9-12,16H,7-8,13H2,1H3,(H,28,29,30);2-4,7-9,12H,5-6,10H2,1H3;8-9,11H,5-7,10H2,1-4H3,(H,19,20);4-5,9,16H,2-3,6-7H2,1H3,(H,13,14);4-5,7,9H,2-3,6H2,1H3,(H,13,14);2-4H,5H2,1H3;7H,4-6,10H2,1-3H3;3-4H,2H2,1H3;1-3H,(H2,7,8);1H4
• InChIKey: WNBZLLWXVUMSQB-UHFFFAOYSA-N
• XLogP: 21.52
• TPSA: 460.43 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 20
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2470.09
LogP ≤ 5	21.52
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-aminopyrrolidine-1-carboxylate;7-chloro-3-(2,6-difluorophenyl)-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]methanol;3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;1-(2,6-difluorophenyl)propan-2-one;dioxomanganese;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;5-fluoropyridin-2-amine;methane?

The IUPAC name of tert-butyl 3-aminopyrrolidine-1-carboxylate;7-chloro-3-(2,6-difluorophenyl)-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]methanol;3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;1-(2,6-difluorophenyl)propan-2-one;dioxomanganese;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;5-fluoropyridin-2-amine;methane (CID 158836912) is tert-butyl 3-aminopyrrolidine-1-carboxylate;7-chloro-3-(2,6-difluorophenyl)-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]methanol;3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;1-(2,6-difluorophenyl)propan-2-one;dioxomanganese;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;5-fluoropyridin-2-amine;methane.

What is the SMILES notation for tert-butyl 3-aminopyrrolidine-1-carboxylate;7-chloro-3-(2,6-difluorophenyl)-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]methanol;3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;1-(2,6-difluorophenyl)propan-2-one;dioxomanganese;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;5-fluoropyridin-2-amine;methane?

The canonical SMILES for tert-butyl 3-aminopyrrolidine-1-carboxylate;7-chloro-3-(2,6-difluorophenyl)-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]methanol;3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;1-(2,6-difluorophenyl)propan-2-one;dioxomanganese;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;5-fluoropyridin-2-amine;methane is C.CC(=O)Cc1c(F)cccc1F.CC(C)(C)OC(=O)N1CCC(N)C1.CCOC(=O)c1cnc(Cl)cc1Cl.CCOC(=O)c1cnc(Cl)cc1NC1CCN(C(=O)OC(C)(C)C)C1.CN1CCC(Nc2cc(Cl)ncc2C=O)C1.CN1CCC(Nc2cc(Cl)ncc2CO)C1.CN1CCC(n2c(=O)c(-c3c(F)cccc3F)cc3cnc(Cl)cc32)C1.CN1CCC(n2c(=O)c(-c3c(F)cccc3F)cc3cnc(Nc4ccc(F)cn4)cc32)C1.Nc1ccc(F)cn1.O=[Mn]=O.

What is the InChIKey of tert-butyl 3-aminopyrrolidine-1-carboxylate;7-chloro-3-(2,6-difluorophenyl)-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]methanol;3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;1-(2,6-difluorophenyl)propan-2-one;dioxomanganese;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;5-fluoropyridin-2-amine;methane?

The InChIKey is WNBZLLWXVUMSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O.C19H16ClF2N3O.C17H24ClN3O4.C11H16ClN3O.C11H14ClN3O.C9H8F2O.C9H18N2O2.C8H7Cl2NO2.C5H5FN2.CH4.Mn.2O/c1-31-8-7-16(13-31)32-20-10-22(30-21-6-5-15(25)12-29-21)28-11-14(20)9-17(24(32)33)23-18(26)3-2-4-19(23)27;1-24-6-5-12(10-24)25-16-8-17(20)23-9-11(16)7-13(19(25)26)18-14(21)3-2-4-15(18)22;1-5-24-15(22)12-9-19-14(18)8-13(12)20-11-6-7-21(10-11)16(23)25-17(2,3)4;2*1-15-3-2-9(6-15)14-10-4-11(12)13-5-8(10)7-16;1-6(12)5-7-8(10)3-2-4-9(7)11;1-9(2,3)13-8(12)11-5-4-7(10)6-11;1-2-13-8(12)5-4-11-7(10)3-6(5)9;6-4-1-2-5(7)8-3-4;;;;/h2-6,9-12,16H,7-8,13H2,1H3,(H,28,29,30);2-4,7-9,12H,5-6,10H2,1H3;8-9,11H,5-7,10H2,1-4H3,(H,19,20);4-5,9,16H,2-3,6-7H2,1H3,(H,13,14);4-5,7,9H,2-3,6H2,1H3,(H,13,14);2-4H,5H2,1H3;7H,4-6,10H2,1-3H3;3-4H,2H2,1H3;1-3H,(H2,7,8);1H4;;;.

What are the key properties of tert-butyl 3-aminopyrrolidine-1-carboxylate;7-chloro-3-(2,6-difluorophenyl)-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]methanol;3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;1-(2,6-difluorophenyl)propan-2-one;dioxomanganese;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;5-fluoropyridin-2-amine;methane?

tert-butyl 3-aminopyrrolidine-1-carboxylate;7-chloro-3-(2,6-difluorophenyl)-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]methanol;3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;1-(2,6-difluorophenyl)propan-2-one;dioxomanganese;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;5-fluoropyridin-2-amine;methane has a molecular weight of 2470.09 g/mol, XLogP of 21.52, 20 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-aminopyrrolidine-1-carboxylate;7-chloro-3-(2,6-difluorophenyl)-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]methanol;3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;1-(2,6-difluorophenyl)propan-2-one;dioxomanganese;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;5-fluoropyridin-2-amine;methane is sourced from PubChem (CID 158836912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).