5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid;pyridin-2-ylmethanamine

C82H92Cl5N27O11 — CID 161024453

About 5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid;pyridin-2-ylmethanamine

5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid;pyridin-2-ylmethanamine (PubChem CID 161024453) has the molecular formula C82H92Cl5N27O11 and a molecular weight of 1809.08 g/mol. Its IUPAC name is 5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid;pyridin-2-ylmethanamine.

Molecular Properties

• Compound Name: 5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid;pyridin-2-ylmethanamine
• PubChem CID: 161024453
• Molecular Formula: C82H92Cl5N27O11
• Molecular Weight: 1809.08 g/mol
• Exact Mass: 1805.59
• IUPAC Name: 5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid;pyridin-2-ylmethanamine
• SMILES: CCN(CC)CCN.CCN(CC)CCNC(=O)c1c[nH]c(/C=C2\C(=O)N(Cc3ccccn3)c3nc(N)nc(Cl)c32)c1C.CCOC(=O)Cc1c(Cl)nc(N)nc1Cl.Cc1c(C(=O)O)c[nH]c1/C=C1\C(=O)N(Cc2ccccn2)c2nc(N)nc(Cl)c21.NCc1ccccn1.Nc1nc(Cl)c2c(n1)N(Cc1ccccn1)C(=O)C2.O=Cc1cc(C(=O)O)c[nH]1
• InChI: InChI=1S/C25H29ClN8O2.C19H15ClN6O3.C12H10ClN5O.C8H9Cl2N3O2.C6H8N2.C6H16N2.C6H5NO3/c1-4-33(5-2)11-10-29-23(35)18-13-30-19(15(18)3)12-17-20-21(26)31-25(27)32-22(20)34(24(17)36)14-16-8-6-7-9-28-16;1-9-12(18(28)29)7-23-13(9)6-11-14-15(20)24-19(21)25-16(14)26(17(11)27)8-10-4-2-3-5-22-10;13-10-8-5-9(19)18(11(8)17-12(14)16-10)6-7-3-1-2-4-15-7;1-2-15-5(14)3-4-6(9)12-8(11)13-7(4)10;7-5-6-3-1-2-4-8-6;1-3-8(4-2)6-5-7;8-3-5-1-4(2-7-5)6(9)10/h6-9,12-13,30H,4-5,10-11,14H2,1-3H3,(H,29,35)(H2,27,31,32);2-7,23H,8H2,1H3,(H,28,29)(H2,21,24,25);1-4H,5-6H2,(H2,14,16,17);2-3H2,1H3,(H2,11,12,13);1-4H,5,7H2;3-7H2,1-2H3;1-3,7H,(H,9,10)/b17-12-;11-6-
• InChIKey: TYUKOTJLFZKJDE-WYKONNMVSA-N
• XLogP: 9.45
• TPSA: 572.65 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1809.08
LogP ≤ 5	9.45
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid;pyridin-2-ylmethanamine?

The IUPAC name of 5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid;pyridin-2-ylmethanamine (CID 161024453) is 5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid;pyridin-2-ylmethanamine.

What is the SMILES notation for 5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid;pyridin-2-ylmethanamine?

The canonical SMILES for 5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid;pyridin-2-ylmethanamine is CCN(CC)CCN.CCN(CC)CCNC(=O)c1c[nH]c(/C=C2\C(=O)N(Cc3ccccn3)c3nc(N)nc(Cl)c32)c1C.CCOC(=O)Cc1c(Cl)nc(N)nc1Cl.Cc1c(C(=O)O)c[nH]c1/C=C1\C(=O)N(Cc2ccccn2)c2nc(N)nc(Cl)c21.NCc1ccccn1.Nc1nc(Cl)c2c(n1)N(Cc1ccccn1)C(=O)C2.O=Cc1cc(C(=O)O)c[nH]1.

What is the InChIKey of 5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid;pyridin-2-ylmethanamine?

The InChIKey is TYUKOTJLFZKJDE-WYKONNMVSA-N. The full InChI is InChI=1S/C25H29ClN8O2.C19H15ClN6O3.C12H10ClN5O.C8H9Cl2N3O2.C6H8N2.C6H16N2.C6H5NO3/c1-4-33(5-2)11-10-29-23(35)18-13-30-19(15(18)3)12-17-20-21(26)31-25(27)32-22(20)34(24(17)36)14-16-8-6-7-9-28-16;1-9-12(18(28)29)7-23-13(9)6-11-14-15(20)24-19(21)25-16(14)26(17(11)27)8-10-4-2-3-5-22-10;13-10-8-5-9(19)18(11(8)17-12(14)16-10)6-7-3-1-2-4-15-7;1-2-15-5(14)3-4-6(9)12-8(11)13-7(4)10;7-5-6-3-1-2-4-8-6;1-3-8(4-2)6-5-7;8-3-5-1-4(2-7-5)6(9)10/h6-9,12-13,30H,4-5,10-11,14H2,1-3H3,(H,29,35)(H2,27,31,32);2-7,23H,8H2,1H3,(H,28,29)(H2,21,24,25);1-4H,5-6H2,(H2,14,16,17);2-3H2,1H3,(H2,11,12,13);1-4H,5,7H2;3-7H2,1-2H3;1-3,7H,(H,9,10)/b17-12-;11-6-;;;;;.

What are the key properties of 5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid;pyridin-2-ylmethanamine?

5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid;pyridin-2-ylmethanamine has a molecular weight of 1809.08 g/mol, XLogP of 9.45, 25 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid;pyridin-2-ylmethanamine is sourced from PubChem (CID 161024453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).