N-(2-aminophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;(2-benzyl-4,5-dihydroimidazol-1-yl)-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(3-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone

C128H112N24O13 — CID 157232541

About N-(2-aminophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;(2-benzyl-4,5-dihydroimidazol-1-yl)-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(3-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone

N-(2-aminophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;(2-benzyl-4,5-dihydroimidazol-1-yl)-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(3-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone (PubChem CID 157232541) has the molecular formula C128H112N24O13 and a molecular weight of 2194.46 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;(2-benzyl-4,5-dihydroimidazol-1-yl)-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(3-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;(2-benzyl-4,5-dihydroimidazol-1-yl)-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(3-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone
• PubChem CID: 157232541
• Molecular Formula: C128H112N24O13
• Molecular Weight: 2194.46 g/mol
• Exact Mass: 2192.88
• IUPAC Name: N-(2-aminophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;(2-benzyl-4,5-dihydroimidazol-1-yl)-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(3-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone
• SMILES: CCOc1cccc(NC(=O)c2cnc3[nH]cc(-c4ccoc4)c3c2)c1.Nc1ccccc1NC(=O)c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(c1cnc2[nH]cc(-c3ccoc3)c2c1)N1CCC2(CC1)OCCO2.O=C(c1cnc2[nH]cc(-c3ccoc3)c2c1)N1CCN=C1Cc1ccccc1.O=C(c1cnc2[nH]cc(-c3cn[nH]c3)c2c1)N1CCCC1.O=C(c1cnc2[nH]cc(-c3cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2c1)N1CCCC1
• InChI: InChI=1S/C34H29N5O.C22H18N4O2.C20H17N3O3.C19H19N3O4.C18H14N4O2.C15H15N5O/c40-33(38-18-10-11-19-38)25-20-30-31(23-36-32(30)35-21-25)26-22-37-39(24-26)34(27-12-4-1-5-13-27,28-14-6-2-7-15-28)29-16-8-3-9-17-29;27-22(26-8-7-23-20(26)10-15-4-2-1-3-5-15)17-11-18-19(16-6-9-28-14-16)13-25-21(18)24-12-17;1-2-26-16-5-3-4-15(9-16)23-20(24)14-8-17-18(13-6-7-25-12-13)11-22-19(17)21-10-14;23-18(22-4-2-19(3-5-22)25-7-8-26-19)14-9-15-16(13-1-6-24-12-13)11-21-17(15)20-10-14;19-15-3-1-2-4-16(15)22-18(23)12-7-13-14(11-5-6-24-10-11)9-21-17(13)20-8-12;21-15(20-3-1-2-4-20)10-5-12-13(11-7-18-19-8-11)9-17-14(12)16-6-10/h1-9,12-17,20-24H,10-11,18-19H2,(H,35,36);1-6,9,11-14H,7-8,10H2,(H,24,25);3-12H,2H2,1H3,(H,21,22)(H,23,24);1,6,9-12H,2-5,7-8H2,(H,20,21);1-10H,19H2,(H,20,21)(H,22,23);5-9H,1-4H2,(H,16,17)(H,18,19)
• InChIKey: AUGMZFFGMQRKFD-UHFFFAOYSA-N
• XLogP: 23.54
• TPSA: 476.65 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2194.46
LogP ≤ 5	23.54
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;(2-benzyl-4,5-dihydroimidazol-1-yl)-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(3-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone?

The IUPAC name of N-(2-aminophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;(2-benzyl-4,5-dihydroimidazol-1-yl)-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(3-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone (CID 157232541) is N-(2-aminophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;(2-benzyl-4,5-dihydroimidazol-1-yl)-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(3-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone.

What is the SMILES notation for N-(2-aminophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;(2-benzyl-4,5-dihydroimidazol-1-yl)-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(3-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone?

The canonical SMILES for N-(2-aminophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;(2-benzyl-4,5-dihydroimidazol-1-yl)-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(3-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone is CCOc1cccc(NC(=O)c2cnc3[nH]cc(-c4ccoc4)c3c2)c1.Nc1ccccc1NC(=O)c1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(c1cnc2[nH]cc(-c3ccoc3)c2c1)N1CCC2(CC1)OCCO2.O=C(c1cnc2[nH]cc(-c3ccoc3)c2c1)N1CCN=C1Cc1ccccc1.O=C(c1cnc2[nH]cc(-c3cn[nH]c3)c2c1)N1CCCC1.O=C(c1cnc2[nH]cc(-c3cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2c1)N1CCCC1.

What is the InChIKey of N-(2-aminophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;(2-benzyl-4,5-dihydroimidazol-1-yl)-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(3-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone?

The InChIKey is AUGMZFFGMQRKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N5O.C22H18N4O2.C20H17N3O3.C19H19N3O4.C18H14N4O2.C15H15N5O/c40-33(38-18-10-11-19-38)25-20-30-31(23-36-32(30)35-21-25)26-22-37-39(24-26)34(27-12-4-1-5-13-27,28-14-6-2-7-15-28)29-16-8-3-9-17-29;27-22(26-8-7-23-20(26)10-15-4-2-1-3-5-15)17-11-18-19(16-6-9-28-14-16)13-25-21(18)24-12-17;1-2-26-16-5-3-4-15(9-16)23-20(24)14-8-17-18(13-6-7-25-12-13)11-22-19(17)21-10-14;23-18(22-4-2-19(3-5-22)25-7-8-26-19)14-9-15-16(13-1-6-24-12-13)11-21-17(15)20-10-14;19-15-3-1-2-4-16(15)22-18(23)12-7-13-14(11-5-6-24-10-11)9-21-17(13)20-8-12;21-15(20-3-1-2-4-20)10-5-12-13(11-7-18-19-8-11)9-17-14(12)16-6-10/h1-9,12-17,20-24H,10-11,18-19H2,(H,35,36);1-6,9,11-14H,7-8,10H2,(H,24,25);3-12H,2H2,1H3,(H,21,22)(H,23,24);1,6,9-12H,2-5,7-8H2,(H,20,21);1-10H,19H2,(H,20,21)(H,22,23);5-9H,1-4H2,(H,16,17)(H,18,19).

What are the key properties of N-(2-aminophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;(2-benzyl-4,5-dihydroimidazol-1-yl)-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(3-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone?

N-(2-aminophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;(2-benzyl-4,5-dihydroimidazol-1-yl)-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(3-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone has a molecular weight of 2194.46 g/mol, XLogP of 23.54, 22 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;(2-benzyl-4,5-dihydroimidazol-1-yl)-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(3-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone is sourced from PubChem (CID 157232541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).