2-chloro-7-cyclopropyl-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyaniline;N-[3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;2,4-dichloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;methane;3-nitrophenol;prop-2-enoyl chloride

C137H142Cl6F4N32O13 — CID 159590447

About 2-chloro-7-cyclopropyl-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyaniline;N-[3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;2,4-dichloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;methane;3-nitrophenol;prop-2-enoyl chloride

2-chloro-7-cyclopropyl-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyaniline;N-[3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;2,4-dichloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;methane;3-nitrophenol;prop-2-enoyl chloride (PubChem CID 159590447) has the molecular formula C137H142Cl6F4N32O13 and a molecular weight of 2733.56 g/mol. Its IUPAC name is 2-chloro-7-cyclopropyl-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyaniline;N-[3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;2,4-dichloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;methane;3-nitrophenol;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 2-chloro-7-cyclopropyl-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyaniline;N-[3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;2,4-dichloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;methane;3-nitrophenol;prop-2-enoyl chloride
• PubChem CID: 159590447
• Molecular Formula: C137H142Cl6F4N32O13
• Molecular Weight: 2733.56 g/mol
• Exact Mass: 2728.95
• IUPAC Name: 2-chloro-7-cyclopropyl-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyaniline;N-[3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;2,4-dichloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;methane;3-nitrophenol;prop-2-enoyl chloride
• SMILES: C.C=CC(=O)Cl.C=CC(=O)Nc1cccc(Oc2nc(Cc3ccc(N4CCN(C)CC4)c(F)c3)nc3c2ccn3C2CC2)c1.CC.CN1CCN(c2ccc(Cc3nc(Oc4cccc(N)c4)c4ccn(C5CC5)c4n3)cc2F)CC1.CN1CCN(c2ccc(Cc3nc(Oc4cccc([N+](=O)[O-])c4)c4ccn(C5CC5)c4n3)cc2F)CC1.CN1CCN(c2ccc(N)cc2F)CC1.Clc1nc(Cl)c2cc[nH]c2n1.Clc1nc(Cl)c2ccn(C3CC3)c2n1.O=[N+]([O-])c1cccc(O)c1.O=[N+]([O-])c1cccc(Oc2nc(Cl)nc3c2ccn3C2CC2)c1
• InChI: InChI=1S/C30H31FN6O2.C27H27FN6O3.C27H29FN6O.C15H11ClN4O3.C11H16FN3.C9H7Cl2N3.C6H3Cl2N3.C6H5NO3.C3H3ClO.C2H6.CH4/c1-3-28(38)32-21-5-4-6-23(19-21)39-30-24-11-12-37(22-8-9-22)29(24)33-27(34-30)18-20-7-10-26(25(31)17-20)36-15-13-35(2)14-16-36;1-31-11-13-32(14-12-31)24-8-5-18(15-23(24)28)16-25-29-26-22(9-10-33(26)19-6-7-19)27(30-25)37-21-4-2-3-20(17-21)34(35)36;1-32-11-13-33(14-12-32)24-8-5-18(15-23(24)28)16-25-30-26-22(9-10-34(26)20-6-7-20)27(31-25)35-21-4-2-3-19(29)17-21;16-15-17-13-12(6-7-19(13)9-4-5-9)14(18-15)23-11-3-1-2-10(8-11)20(21)22;1-14-4-6-15(7-5-14)11-3-2-9(13)8-10(11)12;10-7-6-3-4-14(5-1-2-5)8(6)13-9(11)12-7;7-4-3-1-2-9-5(3)11-6(8)10-4;8-6-3-1-2-5(4-6)7(9)10;1-2-3(4)5;1-2;/h3-7,10-12,17,19,22H,1,8-9,13-16,18H2,2H3,(H,32,38);2-5,8-10,15,17,19H,6-7,11-14,16H2,1H3;2-5,8-10,15,17,20H,6-7,11-14,16,29H2,1H3;1-3,6-9H,4-5H2;2-3,8H,4-7,13H2,1H3;3-5H,1-2H2;1-2H,(H,9,10,11);1-4,8H;2H,1H2;1-2H3;1H4
• InChIKey: MKEBMGJZUWCJEJ-UHFFFAOYSA-N
• XLogP: 29.25
• TPSA: 505.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 29
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2733.56
LogP ≤ 5	29.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-cyclopropyl-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyaniline;N-[3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;2,4-dichloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;methane;3-nitrophenol;prop-2-enoyl chloride?

The IUPAC name of 2-chloro-7-cyclopropyl-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyaniline;N-[3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;2,4-dichloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;methane;3-nitrophenol;prop-2-enoyl chloride (CID 159590447) is 2-chloro-7-cyclopropyl-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyaniline;N-[3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;2,4-dichloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;methane;3-nitrophenol;prop-2-enoyl chloride.

What is the SMILES notation for 2-chloro-7-cyclopropyl-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyaniline;N-[3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;2,4-dichloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;methane;3-nitrophenol;prop-2-enoyl chloride?

The canonical SMILES for 2-chloro-7-cyclopropyl-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyaniline;N-[3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;2,4-dichloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;methane;3-nitrophenol;prop-2-enoyl chloride is C.C=CC(=O)Cl.C=CC(=O)Nc1cccc(Oc2nc(Cc3ccc(N4CCN(C)CC4)c(F)c3)nc3c2ccn3C2CC2)c1.CC.CN1CCN(c2ccc(Cc3nc(Oc4cccc(N)c4)c4ccn(C5CC5)c4n3)cc2F)CC1.CN1CCN(c2ccc(Cc3nc(Oc4cccc([N+](=O)[O-])c4)c4ccn(C5CC5)c4n3)cc2F)CC1.CN1CCN(c2ccc(N)cc2F)CC1.Clc1nc(Cl)c2cc[nH]c2n1.Clc1nc(Cl)c2ccn(C3CC3)c2n1.O=[N+]([O-])c1cccc(O)c1.O=[N+]([O-])c1cccc(Oc2nc(Cl)nc3c2ccn3C2CC2)c1.

What is the InChIKey of 2-chloro-7-cyclopropyl-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyaniline;N-[3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;2,4-dichloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;methane;3-nitrophenol;prop-2-enoyl chloride?

The InChIKey is MKEBMGJZUWCJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN6O2.C27H27FN6O3.C27H29FN6O.C15H11ClN4O3.C11H16FN3.C9H7Cl2N3.C6H3Cl2N3.C6H5NO3.C3H3ClO.C2H6.CH4/c1-3-28(38)32-21-5-4-6-23(19-21)39-30-24-11-12-37(22-8-9-22)29(24)33-27(34-30)18-20-7-10-26(25(31)17-20)36-15-13-35(2)14-16-36;1-31-11-13-32(14-12-31)24-8-5-18(15-23(24)28)16-25-29-26-22(9-10-33(26)19-6-7-19)27(30-25)37-21-4-2-3-20(17-21)34(35)36;1-32-11-13-33(14-12-32)24-8-5-18(15-23(24)28)16-25-30-26-22(9-10-34(26)20-6-7-20)27(31-25)35-21-4-2-3-19(29)17-21;16-15-17-13-12(6-7-19(13)9-4-5-9)14(18-15)23-11-3-1-2-10(8-11)20(21)22;1-14-4-6-15(7-5-14)11-3-2-9(13)8-10(11)12;10-7-6-3-4-14(5-1-2-5)8(6)13-9(11)12-7;7-4-3-1-2-9-5(3)11-6(8)10-4;8-6-3-1-2-5(4-6)7(9)10;1-2-3(4)5;1-2;/h3-7,10-12,17,19,22H,1,8-9,13-16,18H2,2H3,(H,32,38);2-5,8-10,15,17,19H,6-7,11-14,16H2,1H3;2-5,8-10,15,17,20H,6-7,11-14,16,29H2,1H3;1-3,6-9H,4-5H2;2-3,8H,4-7,13H2,1H3;3-5H,1-2H2;1-2H,(H,9,10,11);1-4,8H;2H,1H2;1-2H3;1H4.

What are the key properties of 2-chloro-7-cyclopropyl-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyaniline;N-[3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;2,4-dichloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;methane;3-nitrophenol;prop-2-enoyl chloride?

2-chloro-7-cyclopropyl-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyaniline;N-[3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;2,4-dichloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;methane;3-nitrophenol;prop-2-enoyl chloride has a molecular weight of 2733.56 g/mol, XLogP of 29.25, 29 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-7-cyclopropyl-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidine;3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyaniline;N-[3-[7-cyclopropyl-2-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide;2,4-dichloro-7-cyclopropylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;ethane;3-fluoro-4-(4-methylpiperazin-1-yl)aniline;methane;3-nitrophenol;prop-2-enoyl chloride is sourced from PubChem (CID 159590447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).