1-N-[4-(3-aminophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-methyl-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;methane;methanol;4-N-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylbenzene-1,4-diamine;4-N-methyl-1-N-[4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;N-[3-[[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;oxolane;prop-2-enoyl chloride;sulfane

C154H201Cl2N35O20S5 — CID 158274259

About 1-N-[4-(3-aminophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-methyl-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;methane;methanol;4-N-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylbenzene-1,4-diamine;4-N-methyl-1-N-[4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;N-[3-[[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;oxolane;prop-2-enoyl chloride;sulfane

1-N-[4-(3-aminophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-methyl-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;methane;methanol;4-N-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylbenzene-1,4-diamine;4-N-methyl-1-N-[4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;N-[3-[[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;oxolane;prop-2-enoyl chloride;sulfane (PubChem CID 158274259) has the molecular formula C154H201Cl2N35O20S5 and a molecular weight of 3093.77 g/mol. Its IUPAC name is 1-N-[4-(3-aminophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-methyl-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;methane;methanol;4-N-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylbenzene-1,4-diamine;4-N-methyl-1-N-[4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;N-[3-[[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;oxolane;prop-2-enoyl chloride;sulfane.

Molecular Properties

• Compound Name: 1-N-[4-(3-aminophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-methyl-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;methane;methanol;4-N-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylbenzene-1,4-diamine;4-N-methyl-1-N-[4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;N-[3-[[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;oxolane;prop-2-enoyl chloride;sulfane
• PubChem CID: 158274259
• Molecular Formula: C154H201Cl2N35O20S5
• Molecular Weight: 3093.77 g/mol
• Exact Mass: 3090.38
• IUPAC Name: 1-N-[4-(3-aminophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-methyl-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;methane;methanol;4-N-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylbenzene-1,4-diamine;4-N-methyl-1-N-[4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;N-[3-[[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;oxolane;prop-2-enoyl chloride;sulfane
• SMILES: C.C1CCOC1.C=CC(=O)Cl.C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N(C)[C@@H]4CCN(CCC)C4)cc3)nc3[nH]ccc23)c1.CC(C)(C)C(=O)OCn1ccc2c(Oc3cccc([N+](=O)[O-])c3)nc(Cl)nc21.CCCN1CC[C@@H](N(C)c2ccc(Nc3nc(Oc4cccc(N)c4)c4cc[nH]c4n3)cc2)C1.CCCN1CC[C@@H](N(C)c2ccc(Nc3nc(Oc4cccc([N+](=O)[O-])c4)c4cc[nH]c4n3)cc2)C1.CCCN1CC[C@@H](N(C)c2ccc(Nc3nc(Oc4cccc([N+](=O)[O-])c4)c4ccn(COC(=O)C(C)(C)C)c4n3)cc2)C1.CO.COCCN1CC[C@@H](N(C)c2ccc(N)cc2)C1.S.S.S.S.S
• InChI: InChI=1S/C32H39N7O5.C29H33N7O2.C26H29N7O3.C26H31N7O.C18H17ClN4O5.C14H23N3O.C4H8O.C3H3ClO.CH4O.CH4.5H2S/c1-6-16-37-17-14-25(20-37)36(5)23-12-10-22(11-13-23)33-31-34-28-27(15-18-38(28)21-43-30(40)32(2,3)4)29(35-31)44-26-9-7-8-24(19-26)39(41)42;1-4-16-36-17-14-23(19-36)35(3)22-11-9-20(10-12-22)32-29-33-27-25(13-15-30-27)28(34-29)38-24-8-6-7-21(18-24)31-26(37)5-2;1-3-14-32-15-12-21(17-32)31(2)19-9-7-18(8-10-19)28-26-29-24-23(11-13-27-24)25(30-26)36-22-6-4-5-20(16-22)33(34)35;1-3-14-33-15-12-21(17-33)32(2)20-9-7-19(8-10-20)29-26-30-24-23(11-13-28-24)25(31-26)34-22-6-4-5-18(27)16-22;1-18(2,3)16(24)27-10-22-8-7-13-14(22)20-17(19)21-15(13)28-12-6-4-5-11(9-12)23(25)26;1-16(13-5-3-12(15)4-6-13)14-7-8-17(11-14)9-10-18-2;1-2-4-5-3-1;1-2-3(4)5;1-2;;;;;;/h7-13,15,18-19,25H,6,14,16-17,20-21H2,1-5H3,(H,33,34,35);5-13,15,18,23H,2,4,14,16-17,19H2,1,3H3,(H,31,37)(H2,30,32,33,34);4-11,13,16,21H,3,12,14-15,17H2,1-2H3,(H2,27,28,29,30);4-11,13,16,21H,3,12,14-15,17,27H2,1-2H3,(H2,28,29,30,31);4-9H,10H2,1-3H3;3-6,14H,7-11,15H2,1-2H3;1-4H2;2H,1H2;2H,1H3;1H4;5*1H2/t25-;23-;2*21-;;14-;;;;;;;;;/m1111.1........./s1
• InChIKey: GJKIZDHSSIAYQN-BAGFNLDGSA-N
• XLogP: 30.50
• TPSA: 631.72 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 48
• Rotatable Bonds: 49
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3093.77
LogP ≤ 5	30.50
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', '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 1-N-[4-(3-aminophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-methyl-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;methane;methanol;4-N-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylbenzene-1,4-diamine;4-N-methyl-1-N-[4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;N-[3-[[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;oxolane;prop-2-enoyl chloride;sulfane?

The IUPAC name of 1-N-[4-(3-aminophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-methyl-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;methane;methanol;4-N-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylbenzene-1,4-diamine;4-N-methyl-1-N-[4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;N-[3-[[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;oxolane;prop-2-enoyl chloride;sulfane (CID 158274259) is 1-N-[4-(3-aminophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-methyl-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;methane;methanol;4-N-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylbenzene-1,4-diamine;4-N-methyl-1-N-[4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;N-[3-[[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;oxolane;prop-2-enoyl chloride;sulfane.

What is the SMILES notation for 1-N-[4-(3-aminophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-methyl-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;methane;methanol;4-N-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylbenzene-1,4-diamine;4-N-methyl-1-N-[4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;N-[3-[[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;oxolane;prop-2-enoyl chloride;sulfane?

The canonical SMILES for 1-N-[4-(3-aminophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-methyl-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;methane;methanol;4-N-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylbenzene-1,4-diamine;4-N-methyl-1-N-[4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;N-[3-[[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;oxolane;prop-2-enoyl chloride;sulfane is C.C1CCOC1.C=CC(=O)Cl.C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N(C)[C@@H]4CCN(CCC)C4)cc3)nc3[nH]ccc23)c1.CC(C)(C)C(=O)OCn1ccc2c(Oc3cccc([N+](=O)[O-])c3)nc(Cl)nc21.CCCN1CC[C@@H](N(C)c2ccc(Nc3nc(Oc4cccc(N)c4)c4cc[nH]c4n3)cc2)C1.CCCN1CC[C@@H](N(C)c2ccc(Nc3nc(Oc4cccc([N+](=O)[O-])c4)c4cc[nH]c4n3)cc2)C1.CCCN1CC[C@@H](N(C)c2ccc(Nc3nc(Oc4cccc([N+](=O)[O-])c4)c4ccn(COC(=O)C(C)(C)C)c4n3)cc2)C1.CO.COCCN1CC[C@@H](N(C)c2ccc(N)cc2)C1.S.S.S.S.S.

What is the InChIKey of 1-N-[4-(3-aminophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-methyl-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;methane;methanol;4-N-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylbenzene-1,4-diamine;4-N-methyl-1-N-[4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;N-[3-[[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;oxolane;prop-2-enoyl chloride;sulfane?

The InChIKey is GJKIZDHSSIAYQN-BAGFNLDGSA-N. The full InChI is InChI=1S/C32H39N7O5.C29H33N7O2.C26H29N7O3.C26H31N7O.C18H17ClN4O5.C14H23N3O.C4H8O.C3H3ClO.CH4O.CH4.5H2S/c1-6-16-37-17-14-25(20-37)36(5)23-12-10-22(11-13-23)33-31-34-28-27(15-18-38(28)21-43-30(40)32(2,3)4)29(35-31)44-26-9-7-8-24(19-26)39(41)42;1-4-16-36-17-14-23(19-36)35(3)22-11-9-20(10-12-22)32-29-33-27-25(13-15-30-27)28(34-29)38-24-8-6-7-21(18-24)31-26(37)5-2;1-3-14-32-15-12-21(17-32)31(2)19-9-7-18(8-10-19)28-26-29-24-23(11-13-27-24)25(30-26)36-22-6-4-5-20(16-22)33(34)35;1-3-14-33-15-12-21(17-33)32(2)20-9-7-19(8-10-20)29-26-30-24-23(11-13-28-24)25(31-26)34-22-6-4-5-18(27)16-22;1-18(2,3)16(24)27-10-22-8-7-13-14(22)20-17(19)21-15(13)28-12-6-4-5-11(9-12)23(25)26;1-16(13-5-3-12(15)4-6-13)14-7-8-17(11-14)9-10-18-2;1-2-4-5-3-1;1-2-3(4)5;1-2;;;;;;/h7-13,15,18-19,25H,6,14,16-17,20-21H2,1-5H3,(H,33,34,35);5-13,15,18,23H,2,4,14,16-17,19H2,1,3H3,(H,31,37)(H2,30,32,33,34);4-11,13,16,21H,3,12,14-15,17H2,1-2H3,(H2,27,28,29,30);4-11,13,16,21H,3,12,14-15,17,27H2,1-2H3,(H2,28,29,30,31);4-9H,10H2,1-3H3;3-6,14H,7-11,15H2,1-2H3;1-4H2;2H,1H2;2H,1H3;1H4;5*1H2/t25-;23-;2*21-;;14-;;;;;;;;;/m1111.1........./s1.

What are the key properties of 1-N-[4-(3-aminophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-methyl-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;methane;methanol;4-N-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylbenzene-1,4-diamine;4-N-methyl-1-N-[4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;N-[3-[[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;oxolane;prop-2-enoyl chloride;sulfane?

1-N-[4-(3-aminophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-methyl-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;methane;methanol;4-N-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylbenzene-1,4-diamine;4-N-methyl-1-N-[4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;N-[3-[[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;oxolane;prop-2-enoyl chloride;sulfane has a molecular weight of 3093.77 g/mol, XLogP of 30.50, 49 rotatable bonds, 11 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[4-(3-aminophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-methyl-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;methane;methanol;4-N-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylbenzene-1,4-diamine;4-N-methyl-1-N-[4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-N-[(3R)-1-propylpyrrolidin-3-yl]benzene-1,4-diamine;[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate;N-[3-[[2-[4-[methyl-[(3R)-1-propylpyrrolidin-3-yl]amino]anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;oxolane;prop-2-enoyl chloride;sulfane is sourced from PubChem (CID 158274259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).