benzyl 6-aminopyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-(7H-cyclopenta[b]pyridin-2-yl)acetate;7H-cyclopenta[b]pyridin-2-amine

C113H108F2N16O16 — CID 158885418

About benzyl 6-aminopyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-(7H-cyclopenta[b]pyridin-2-yl)acetate;7H-cyclopenta[b]pyridin-2-amine

benzyl 6-aminopyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-(7H-cyclopenta[b]pyridin-2-yl)acetate;7H-cyclopenta[b]pyridin-2-amine (PubChem CID 158885418) has the molecular formula C113H108F2N16O16 and a molecular weight of 1984.20 g/mol. Its IUPAC name is benzyl 6-aminopyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-(7H-cyclopenta[b]pyridin-2-yl)acetate;7H-cyclopenta[b]pyridin-2-amine.

Molecular Properties

• Compound Name: benzyl 6-aminopyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-(7H-cyclopenta[b]pyridin-2-yl)acetate;7H-cyclopenta[b]pyridin-2-amine
• PubChem CID: 158885418
• Molecular Formula: C113H108F2N16O16
• Molecular Weight: 1984.20 g/mol
• Exact Mass: 1982.81
• IUPAC Name: benzyl 6-aminopyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-(7H-cyclopenta[b]pyridin-2-yl)acetate;7H-cyclopenta[b]pyridin-2-amine
• SMILES: CC(C)(C)OC(=O)Cc1ccc2c(n1)CC=C2.CC(C)(C)OC(=O)Cc1ccc2ccn(C(=O)OCc3ccccc3)c2n1.Nc1ccc2c(n1)CC=C2.Nc1ccc2ccn(C(=O)OCc3ccccc3)c2n1.O=C(Nc1ccc2ccn(C(=O)OCc3ccccc3)c2n1)[C@H]1C[C@@H](F)CN1.O=C(Nc1ccc2ccn(C(=O)OCc3ccccc3)c2n1)[C@H]1C[C@@H](F)CN1C(=O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C35H29FN4O5.C21H22N2O4.C20H19FN4O3.C15H13N3O2.C14H17NO2.C8H8N2/c36-24-18-30(40(19-24)35(43)45-21-29-27-12-6-4-10-25(27)26-11-5-7-13-28(26)29)33(41)38-31-15-14-23-16-17-39(32(23)37-31)34(42)44-20-22-8-2-1-3-9-22;1-21(2,3)27-18(24)13-17-10-9-16-11-12-23(19(16)22-17)20(25)26-14-15-7-5-4-6-8-15;21-15-10-16(22-11-15)19(26)24-17-7-6-14-8-9-25(18(14)23-17)20(27)28-12-13-4-2-1-3-5-13;16-13-7-6-12-8-9-18(14(12)17-13)15(19)20-10-11-4-2-1-3-5-11;1-14(2,3)17-13(16)9-11-8-7-10-5-4-6-12(10)15-11;9-8-5-4-6-2-1-3-7(6)10-8/h1-17,24,29-30H,18-21H2,(H,37,38,41);4-12H,13-14H2,1-3H3;1-9,15-16,22H,10-12H2,(H,23,24,26);1-9H,10H2,(H2,16,17);4-5,7-8H,6,9H2,1-3H3;1-2,4-5H,3H2,(H2,9,10)/t24-,30-;;15-,16-;;;/m1.1.../s1
• InChIKey: JDOKFRBJMQHCEO-RXZCXACWSA-N
• XLogP: 20.06
• TPSA: 406.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1984.20
LogP ≤ 5	20.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl 6-aminopyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-(7H-cyclopenta[b]pyridin-2-yl)acetate;7H-cyclopenta[b]pyridin-2-amine?

The IUPAC name of benzyl 6-aminopyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-(7H-cyclopenta[b]pyridin-2-yl)acetate;7H-cyclopenta[b]pyridin-2-amine (CID 158885418) is benzyl 6-aminopyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-(7H-cyclopenta[b]pyridin-2-yl)acetate;7H-cyclopenta[b]pyridin-2-amine.

What is the SMILES notation for benzyl 6-aminopyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-(7H-cyclopenta[b]pyridin-2-yl)acetate;7H-cyclopenta[b]pyridin-2-amine?

The canonical SMILES for benzyl 6-aminopyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-(7H-cyclopenta[b]pyridin-2-yl)acetate;7H-cyclopenta[b]pyridin-2-amine is CC(C)(C)OC(=O)Cc1ccc2c(n1)CC=C2.CC(C)(C)OC(=O)Cc1ccc2ccn(C(=O)OCc3ccccc3)c2n1.Nc1ccc2c(n1)CC=C2.Nc1ccc2ccn(C(=O)OCc3ccccc3)c2n1.O=C(Nc1ccc2ccn(C(=O)OCc3ccccc3)c2n1)[C@H]1C[C@@H](F)CN1.O=C(Nc1ccc2ccn(C(=O)OCc3ccccc3)c2n1)[C@H]1C[C@@H](F)CN1C(=O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of benzyl 6-aminopyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-(7H-cyclopenta[b]pyridin-2-yl)acetate;7H-cyclopenta[b]pyridin-2-amine?

The InChIKey is JDOKFRBJMQHCEO-RXZCXACWSA-N. The full InChI is InChI=1S/C35H29FN4O5.C21H22N2O4.C20H19FN4O3.C15H13N3O2.C14H17NO2.C8H8N2/c36-24-18-30(40(19-24)35(43)45-21-29-27-12-6-4-10-25(27)26-11-5-7-13-28(26)29)33(41)38-31-15-14-23-16-17-39(32(23)37-31)34(42)44-20-22-8-2-1-3-9-22;1-21(2,3)27-18(24)13-17-10-9-16-11-12-23(19(16)22-17)20(25)26-14-15-7-5-4-6-8-15;21-15-10-16(22-11-15)19(26)24-17-7-6-14-8-9-25(18(14)23-17)20(27)28-12-13-4-2-1-3-5-13;16-13-7-6-12-8-9-18(14(12)17-13)15(19)20-10-11-4-2-1-3-5-11;1-14(2,3)17-13(16)9-11-8-7-10-5-4-6-12(10)15-11;9-8-5-4-6-2-1-3-7(6)10-8/h1-17,24,29-30H,18-21H2,(H,37,38,41);4-12H,13-14H2,1-3H3;1-9,15-16,22H,10-12H2,(H,23,24,26);1-9H,10H2,(H2,16,17);4-5,7-8H,6,9H2,1-3H3;1-2,4-5H,3H2,(H2,9,10)/t24-,30-;;15-,16-;;;/m1.1.../s1.

What are the key properties of benzyl 6-aminopyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-(7H-cyclopenta[b]pyridin-2-yl)acetate;7H-cyclopenta[b]pyridin-2-amine?

benzyl 6-aminopyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-(7H-cyclopenta[b]pyridin-2-yl)acetate;7H-cyclopenta[b]pyridin-2-amine has a molecular weight of 1984.20 g/mol, XLogP of 20.06, 18 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 6-aminopyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;benzyl 6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 2-(7H-cyclopenta[b]pyridin-2-yl)acetate;7H-cyclopenta[b]pyridin-2-amine is sourced from PubChem (CID 158885418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).