5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-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;(1-methylpyrazol-3-yl)methanamine

C78H96Cl5N31O11 — CID 159388011

About 5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-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;(1-methylpyrazol-3-yl)methanamine

5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-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;(1-methylpyrazol-3-yl)methanamine (PubChem CID 159388011) has the molecular formula C78H96Cl5N31O11 and a molecular weight of 1821.10 g/mol. Its IUPAC name is 5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-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;(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

• Compound Name: 5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-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;(1-methylpyrazol-3-yl)methanamine
• PubChem CID: 159388011
• Molecular Formula: C78H96Cl5N31O11
• Molecular Weight: 1821.10 g/mol
• Exact Mass: 1817.63
• IUPAC Name: 5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-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;(1-methylpyrazol-3-yl)methanamine
• SMILES: CCN(CC)CCN.CCN(CC)CCNC(=O)c1c[nH]c(/C=C2\C(=O)N(Cc3ccn(C)n3)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(Cc2ccn(C)n2)c2nc(N)nc(Cl)c21.Cn1ccc(CN)n1.Cn1ccc(CN2C(=O)Cc3c(Cl)nc(N)nc32)n1.O=Cc1cc(C(=O)O)c[nH]1
• InChI: InChI=1S/C24H30ClN9O2.C18H16ClN7O3.C11H11ClN6O.C8H9Cl2N3O2.C6H16N2.C6H5NO3.C5H9N3/c1-5-33(6-2)10-8-27-22(35)17-12-28-18(14(17)3)11-16-19-20(25)29-24(26)30-21(19)34(23(16)36)13-15-7-9-32(4)31-15;1-8-11(17(28)29)6-21-12(8)5-10-13-14(19)22-18(20)23-15(13)26(16(10)27)7-9-3-4-25(2)24-9;1-17-3-2-6(16-17)5-18-8(19)4-7-9(12)14-11(13)15-10(7)18;1-2-15-5(14)3-4-6(9)12-8(11)13-7(4)10;1-3-8(4-2)6-5-7;8-3-5-1-4(2-7-5)6(9)10;1-8-3-2-5(4-6)7-8/h7,9,11-12,28H,5-6,8,10,13H2,1-4H3,(H,27,35)(H2,26,29,30);3-6,21H,7H2,1-2H3,(H,28,29)(H2,20,22,23);2-3H,4-5H2,1H3,(H2,13,14,15);2-3H2,1H3,(H2,11,12,13);3-7H2,1-2H3;1-3,7H,(H,9,10);2-3H,4,6H2,1H3/b16-11-;10-5-
• InChIKey: LLTDRCHFJKSWRR-ZDWUZMOOSA-N
• XLogP: 6.81
• TPSA: 592.37 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 25
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1821.10
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

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-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-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;(1-methylpyrazol-3-yl)methanamine?

The IUPAC name of 5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-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;(1-methylpyrazol-3-yl)methanamine (CID 159388011) is 5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-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;(1-methylpyrazol-3-yl)methanamine.

What is the SMILES notation for 5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-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;(1-methylpyrazol-3-yl)methanamine?

The canonical SMILES for 5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-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;(1-methylpyrazol-3-yl)methanamine is CCN(CC)CCN.CCN(CC)CCNC(=O)c1c[nH]c(/C=C2\C(=O)N(Cc3ccn(C)n3)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(Cc2ccn(C)n2)c2nc(N)nc(Cl)c21.Cn1ccc(CN)n1.Cn1ccc(CN2C(=O)Cc3c(Cl)nc(N)nc32)n1.O=Cc1cc(C(=O)O)c[nH]1.

What is the InChIKey of 5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-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;(1-methylpyrazol-3-yl)methanamine?

The InChIKey is LLTDRCHFJKSWRR-ZDWUZMOOSA-N. The full InChI is InChI=1S/C24H30ClN9O2.C18H16ClN7O3.C11H11ClN6O.C8H9Cl2N3O2.C6H16N2.C6H5NO3.C5H9N3/c1-5-33(6-2)10-8-27-22(35)17-12-28-18(14(17)3)11-16-19-20(25)29-24(26)30-21(19)34(23(16)36)13-15-7-9-32(4)31-15;1-8-11(17(28)29)6-21-12(8)5-10-13-14(19)22-18(20)23-15(13)26(16(10)27)7-9-3-4-25(2)24-9;1-17-3-2-6(16-17)5-18-8(19)4-7-9(12)14-11(13)15-10(7)18;1-2-15-5(14)3-4-6(9)12-8(11)13-7(4)10;1-3-8(4-2)6-5-7;8-3-5-1-4(2-7-5)6(9)10;1-8-3-2-5(4-6)7-8/h7,9,11-12,28H,5-6,8,10,13H2,1-4H3,(H,27,35)(H2,26,29,30);3-6,21H,7H2,1-2H3,(H,28,29)(H2,20,22,23);2-3H,4-5H2,1H3,(H2,13,14,15);2-3H2,1H3,(H2,11,12,13);3-7H2,1-2H3;1-3,7H,(H,9,10);2-3H,4,6H2,1H3/b16-11-;10-5-;;;;;.

What are the key properties of 5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-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;(1-methylpyrazol-3-yl)methanamine?

5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-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;(1-methylpyrazol-3-yl)methanamine has a molecular weight of 1821.10 g/mol, XLogP of 6.81, 25 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-[(1-methylpyrazol-3-yl)methyl]-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;(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 159388011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).