tert-butyl 2-[3-(2-amino-2-formyloxyethyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-(2-aminopropyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-formyloxyethyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-(3-formylpyrrolo[3,2-c]pyridin-1-yl)acetate;tert-butyl 2-[3-[(E)-2-(phenylmethoxycarbonylamino)prop-1-enyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;bis(carbon dioxide);1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde

C111H124N16O24 — CID 157249216

About tert-butyl 2-[3-(2-amino-2-formyloxyethyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-(2-aminopropyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-formyloxyethyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-(3-formylpyrrolo[3,2-c]pyridin-1-yl)acetate;tert-butyl 2-[3-[(E)-2-(phenylmethoxycarbonylamino)prop-1-enyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;bis(carbon dioxide);1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde

tert-butyl 2-[3-(2-amino-2-formyloxyethyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-(2-aminopropyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-formyloxyethyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-(3-formylpyrrolo[3,2-c]pyridin-1-yl)acetate;tert-butyl 2-[3-[(E)-2-(phenylmethoxycarbonylamino)prop-1-enyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;bis(carbon dioxide);1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde (PubChem CID 157249216) has the molecular formula C111H124N16O24 and a molecular weight of 2066.30 g/mol. Its IUPAC name is tert-butyl 2-[3-(2-amino-2-formyloxyethyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-(2-aminopropyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-formyloxyethyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-(3-formylpyrrolo[3,2-c]pyridin-1-yl)acetate;tert-butyl 2-[3-[(E)-2-(phenylmethoxycarbonylamino)prop-1-enyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;bis(carbon dioxide);1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: tert-butyl 2-[3-(2-amino-2-formyloxyethyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-(2-aminopropyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-formyloxyethyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-(3-formylpyrrolo[3,2-c]pyridin-1-yl)acetate;tert-butyl 2-[3-[(E)-2-(phenylmethoxycarbonylamino)prop-1-enyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;bis(carbon dioxide);1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde
• PubChem CID: 157249216
• Molecular Formula: C111H124N16O24
• Molecular Weight: 2066.30 g/mol
• Exact Mass: 2064.90
• IUPAC Name: tert-butyl 2-[3-(2-amino-2-formyloxyethyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-(2-aminopropyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-formyloxyethyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-(3-formylpyrrolo[3,2-c]pyridin-1-yl)acetate;tert-butyl 2-[3-[(E)-2-(phenylmethoxycarbonylamino)prop-1-enyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;bis(carbon dioxide);1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde
• SMILES: C/C(=C\c1cn(CC(=O)OC(C)(C)C)c2ccncc12)NC(=O)OCc1ccccc1.CC(C)(C)OC(=O)Cn1cc(C=O)c2cnccc21.CC(C)(C)OC(=O)Cn1cc(CC(N)OC=O)c2cnccc21.CC(C)(C)OC(=O)Cn1cc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)OC=O)c2cnccc21.CC(N)Cc1cn(CC(=O)OC(C)(C)C)c2ccncc12.O=C=O.O=C=O.O=Cc1c[nH]c2ccncc12
• InChI: InChI=1S/C31H31N3O6.C24H27N3O4.C16H21N3O4.C16H23N3O2.C14H16N2O3.C8H6N2O.2CO2/c1-31(2,3)40-29(36)17-34-16-20(25-15-32-13-12-27(25)34)14-28(39-19-35)33-30(37)38-18-26-23-10-6-4-8-21(23)22-9-5-7-11-24(22)26;1-17(26-23(29)30-16-18-8-6-5-7-9-18)12-19-14-27(15-22(28)31-24(2,3)4)21-10-11-25-13-20(19)21;1-16(2,3)23-15(21)9-19-8-11(6-14(17)22-10-20)12-7-18-5-4-13(12)19;1-11(17)7-12-9-19(10-15(20)21-16(2,3)4)14-5-6-18-8-13(12)14;1-14(2,3)19-13(18)8-16-7-10(9-17)11-6-15-5-4-12(11)16;11-5-6-3-10-8-1-2-9-4-7(6)8;2*2-1-3/h4-13,15-16,19,26,28H,14,17-18H2,1-3H3,(H,33,37);5-14H,15-16H2,1-4H3,(H,26,29);4-5,7-8,10,14H,6,9,17H2,1-3H3;5-6,8-9,11H,7,10,17H2,1-4H3;4-7,9H,8H2,1-3H3;1-5,10H;;/b;17-12+
• InChIKey: AWDIPUYXVOURDJ-POJMUFRCSA-N
• XLogP: 15.67
• TPSA: 533.00 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 29
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2066.30
LogP ≤ 5	15.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-(2-amino-2-formyloxyethyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-(2-aminopropyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-formyloxyethyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-(3-formylpyrrolo[3,2-c]pyridin-1-yl)acetate;tert-butyl 2-[3-[(E)-2-(phenylmethoxycarbonylamino)prop-1-enyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;bis(carbon dioxide);1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde?

The IUPAC name of tert-butyl 2-[3-(2-amino-2-formyloxyethyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-(2-aminopropyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-formyloxyethyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-(3-formylpyrrolo[3,2-c]pyridin-1-yl)acetate;tert-butyl 2-[3-[(E)-2-(phenylmethoxycarbonylamino)prop-1-enyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;bis(carbon dioxide);1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde (CID 157249216) is tert-butyl 2-[3-(2-amino-2-formyloxyethyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-(2-aminopropyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-formyloxyethyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-(3-formylpyrrolo[3,2-c]pyridin-1-yl)acetate;tert-butyl 2-[3-[(E)-2-(phenylmethoxycarbonylamino)prop-1-enyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;bis(carbon dioxide);1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde.

What is the SMILES notation for tert-butyl 2-[3-(2-amino-2-formyloxyethyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-(2-aminopropyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-formyloxyethyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-(3-formylpyrrolo[3,2-c]pyridin-1-yl)acetate;tert-butyl 2-[3-[(E)-2-(phenylmethoxycarbonylamino)prop-1-enyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;bis(carbon dioxide);1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde?

The canonical SMILES for tert-butyl 2-[3-(2-amino-2-formyloxyethyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-(2-aminopropyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-formyloxyethyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-(3-formylpyrrolo[3,2-c]pyridin-1-yl)acetate;tert-butyl 2-[3-[(E)-2-(phenylmethoxycarbonylamino)prop-1-enyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;bis(carbon dioxide);1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde is C/C(=C\c1cn(CC(=O)OC(C)(C)C)c2ccncc12)NC(=O)OCc1ccccc1.CC(C)(C)OC(=O)Cn1cc(C=O)c2cnccc21.CC(C)(C)OC(=O)Cn1cc(CC(N)OC=O)c2cnccc21.CC(C)(C)OC(=O)Cn1cc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)OC=O)c2cnccc21.CC(N)Cc1cn(CC(=O)OC(C)(C)C)c2ccncc12.O=C=O.O=C=O.O=Cc1c[nH]c2ccncc12.

What is the InChIKey of tert-butyl 2-[3-(2-amino-2-formyloxyethyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-(2-aminopropyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-formyloxyethyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-(3-formylpyrrolo[3,2-c]pyridin-1-yl)acetate;tert-butyl 2-[3-[(E)-2-(phenylmethoxycarbonylamino)prop-1-enyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;bis(carbon dioxide);1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde?

The InChIKey is AWDIPUYXVOURDJ-POJMUFRCSA-N. The full InChI is InChI=1S/C31H31N3O6.C24H27N3O4.C16H21N3O4.C16H23N3O2.C14H16N2O3.C8H6N2O.2CO2/c1-31(2,3)40-29(36)17-34-16-20(25-15-32-13-12-27(25)34)14-28(39-19-35)33-30(37)38-18-26-23-10-6-4-8-21(23)22-9-5-7-11-24(22)26;1-17(26-23(29)30-16-18-8-6-5-7-9-18)12-19-14-27(15-22(28)31-24(2,3)4)21-10-11-25-13-20(19)21;1-16(2,3)23-15(21)9-19-8-11(6-14(17)22-10-20)12-7-18-5-4-13(12)19;1-11(17)7-12-9-19(10-15(20)21-16(2,3)4)14-5-6-18-8-13(12)14;1-14(2,3)19-13(18)8-16-7-10(9-17)11-6-15-5-4-12(11)16;11-5-6-3-10-8-1-2-9-4-7(6)8;2*2-1-3/h4-13,15-16,19,26,28H,14,17-18H2,1-3H3,(H,33,37);5-14H,15-16H2,1-4H3,(H,26,29);4-5,7-8,10,14H,6,9,17H2,1-3H3;5-6,8-9,11H,7,10,17H2,1-4H3;4-7,9H,8H2,1-3H3;1-5,10H;;/b;17-12+;;;;;;.

What are the key properties of tert-butyl 2-[3-(2-amino-2-formyloxyethyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-(2-aminopropyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-formyloxyethyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-(3-formylpyrrolo[3,2-c]pyridin-1-yl)acetate;tert-butyl 2-[3-[(E)-2-(phenylmethoxycarbonylamino)prop-1-enyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;bis(carbon dioxide);1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde?

tert-butyl 2-[3-(2-amino-2-formyloxyethyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-(2-aminopropyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-formyloxyethyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-(3-formylpyrrolo[3,2-c]pyridin-1-yl)acetate;tert-butyl 2-[3-[(E)-2-(phenylmethoxycarbonylamino)prop-1-enyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;bis(carbon dioxide);1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde has a molecular weight of 2066.30 g/mol, XLogP of 15.67, 29 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[3-(2-amino-2-formyloxyethyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-(2-aminopropyl)pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-formyloxyethyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;tert-butyl 2-(3-formylpyrrolo[3,2-c]pyridin-1-yl)acetate;tert-butyl 2-[3-[(E)-2-(phenylmethoxycarbonylamino)prop-1-enyl]pyrrolo[3,2-c]pyridin-1-yl]acetate;bis(carbon dioxide);1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde is sourced from PubChem (CID 157249216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).