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

C113H140Cl5N41O16 — CID 157187626

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

5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;bis(5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid);bis(2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(N',N'-diethylethane-1,2-diamine);bis(5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid) (PubChem CID 157187626) has the molecular formula C113H140Cl5N41O16 and a molecular weight of 2505.90 g/mol. Its IUPAC name is 5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;bis(5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid);bis(2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(N',N'-diethylethane-1,2-diamine);bis(5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid).

Molecular Properties

• Compound Name: 5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;bis(5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid);bis(2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(N',N'-diethylethane-1,2-diamine);bis(5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid)
• PubChem CID: 157187626
• Molecular Formula: C113H140Cl5N41O16
• Molecular Weight: 2505.90 g/mol
• Exact Mass: 2501.98
• IUPAC Name: 5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;bis(5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid);bis(2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(N',N'-diethylethane-1,2-diamine);bis(5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid)
• SMILES: CCN(CC)CCN.CCN(CC)CCN.CCN(CC)CCNC(=O)c1c[nH]c(/C=C2\C(=O)N(Cc3cnn(C)c3C)c3nc(N)nc(Cl)c32)c1C.Cc1c(C(=O)O)c[nH]c1/C=C1\C(=O)N(Cc2cnn(C)c2C)c2nc(N)nc(Cl)c21.Cc1c(C(=O)O)c[nH]c1/C=C1\C(=O)N(Cc2cnn(C)c2C)c2nc(N)nc(Cl)c21.Cc1c(C(=O)O)c[nH]c1C=O.Cc1c(C(=O)O)c[nH]c1C=O.Cc1c(CN2C(=O)Cc3c(Cl)nc(N)nc32)cnn1C.Cc1c(CN2C(=O)Cc3c(Cl)nc(N)nc32)cnn1C
• InChI: InChI=1S/C25H32ClN9O2.2C19H18ClN7O3.2C12H13ClN6O.2C7H7NO3.2C6H16N2/c1-6-34(7-2)9-8-28-23(36)18-12-29-19(14(18)3)10-17-20-21(26)31-25(27)32-22(20)35(24(17)37)13-16-11-30-33(5)15(16)4;2*1-8-12(18(29)30)6-22-13(8)4-11-14-15(20)24-19(21)25-16(14)27(17(11)28)7-10-5-23-26(3)9(10)2;2*1-6-7(4-15-18(6)2)5-19-9(20)3-8-10(13)16-12(14)17-11(8)19;2*1-4-5(7(10)11)2-8-6(4)3-9;2*1-3-8(4-2)6-5-7/h10-12,29H,6-9,13H2,1-5H3,(H,28,36)(H2,27,31,32);2*4-6,22H,7H2,1-3H3,(H,29,30)(H2,21,24,25);2*4H,3,5H2,1-2H3,(H2,14,16,17);2*2-3,8H,1H3,(H,10,11);2*3-7H2,1-2H3/b17-10-;2*11-4-
• InChIKey: APHNXTICNCCECT-IIYMXXPLSA-N
• XLogP: 10.83
• TPSA: 802.80 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 42
• Rotatable Bonds: 33
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2505.90
LogP ≤ 5	10.83
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	42

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-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;bis(5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid);bis(2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(N',N'-diethylethane-1,2-diamine);bis(5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid)?

The IUPAC name of 5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;bis(5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid);bis(2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(N',N'-diethylethane-1,2-diamine);bis(5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid) (CID 157187626) is 5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;bis(5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid);bis(2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(N',N'-diethylethane-1,2-diamine);bis(5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid).

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

The canonical SMILES for 5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;bis(5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid);bis(2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(N',N'-diethylethane-1,2-diamine);bis(5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid) is CCN(CC)CCN.CCN(CC)CCN.CCN(CC)CCNC(=O)c1c[nH]c(/C=C2\C(=O)N(Cc3cnn(C)c3C)c3nc(N)nc(Cl)c32)c1C.Cc1c(C(=O)O)c[nH]c1/C=C1\C(=O)N(Cc2cnn(C)c2C)c2nc(N)nc(Cl)c21.Cc1c(C(=O)O)c[nH]c1/C=C1\C(=O)N(Cc2cnn(C)c2C)c2nc(N)nc(Cl)c21.Cc1c(C(=O)O)c[nH]c1C=O.Cc1c(C(=O)O)c[nH]c1C=O.Cc1c(CN2C(=O)Cc3c(Cl)nc(N)nc32)cnn1C.Cc1c(CN2C(=O)Cc3c(Cl)nc(N)nc32)cnn1C.

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

The InChIKey is APHNXTICNCCECT-IIYMXXPLSA-N. The full InChI is InChI=1S/C25H32ClN9O2.2C19H18ClN7O3.2C12H13ClN6O.2C7H7NO3.2C6H16N2/c1-6-34(7-2)9-8-28-23(36)18-12-29-19(14(18)3)10-17-20-21(26)31-25(27)32-22(20)35(24(17)37)13-16-11-30-33(5)15(16)4;2*1-8-12(18(29)30)6-22-13(8)4-11-14-15(20)24-19(21)25-16(14)27(17(11)28)7-10-5-23-26(3)9(10)2;2*1-6-7(4-15-18(6)2)5-19-9(20)3-8-10(13)16-12(14)17-11(8)19;2*1-4-5(7(10)11)2-8-6(4)3-9;2*1-3-8(4-2)6-5-7/h10-12,29H,6-9,13H2,1-5H3,(H,28,36)(H2,27,31,32);2*4-6,22H,7H2,1-3H3,(H,29,30)(H2,21,24,25);2*4H,3,5H2,1-2H3,(H2,14,16,17);2*2-3,8H,1H3,(H,10,11);2*3-7H2,1-2H3/b17-10-;2*11-4-;;;;;;.

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

5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;bis(5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid);bis(2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(N',N'-diethylethane-1,2-diamine);bis(5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid) has a molecular weight of 2505.90 g/mol, XLogP of 10.83, 33 rotatable bonds, 17 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;bis(5-[(Z)-[2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid);bis(2-amino-4-chloro-7-[(1,5-dimethylpyrazol-4-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);bis(N',N'-diethylethane-1,2-diamine);bis(5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid) is sourced from PubChem (CID 157187626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).