4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-chloro-4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidine;N-ethylethanamine;methane;bis(4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine);6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride

C174H176Cl2N38O18 — CID 161233866

About 4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-chloro-4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidine;N-ethylethanamine;methane;bis(4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine);6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride

4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-chloro-4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidine;N-ethylethanamine;methane;bis(4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine);6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride (PubChem CID 161233866) has the molecular formula C174H176Cl2N38O18 and a molecular weight of 3158.48 g/mol. Its IUPAC name is 4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-chloro-4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidine;N-ethylethanamine;methane;bis(4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine);6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-chloro-4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidine;N-ethylethanamine;methane;bis(4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine);6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride
• PubChem CID: 161233866
• Molecular Formula: C174H176Cl2N38O18
• Molecular Weight: 3158.48 g/mol
• Exact Mass: 3155.34
• IUPAC Name: 4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-chloro-4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidine;N-ethylethanamine;methane;bis(4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine);6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride
• SMILES: C.C=CC(=O)Cl.C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc4nc(CN5CCCCC5)ccc4c3)nc3[nH]ccc23)c1.CCNCC.Nc1ccc2nc(CN3CCCCC3)ccc2c1.Nc1cccc(Oc2nc(Nc3ccc4cc(CN5CCCCC5)ccc4c3)nc3[nH]ccc23)c1.O=Cc1ccc2cc([N+](=O)[O-])ccc2n1.O=[N+]([O-])c1ccc2nc(CN3CCCCC3)ccc2c1.O=[N+]([O-])c1cccc(Oc2nc(Cl)nc3[nH]ccc23)c1.O=[N+]([O-])c1cccc(Oc2nc(Nc3ccc4cc(CN5CCCCC5)ccc4c3)nc3[nH]ccc23)c1.O=[N+]([O-])c1cccc(Oc2nc(Nc3ccc4cc(CN5CCCCC5)ccc4c3)nc3[nH]ccc23)c1
• InChI: InChI=1S/C30H29N7O2.2C28H26N6O3.C28H28N6O.C15H17N3O2.C15H19N3.C12H7ClN4O3.C10H6N2O3.C4H11N.C3H3ClO.CH4/c1-2-27(38)33-21-7-6-8-24(18-21)39-29-25-13-14-31-28(25)35-30(36-29)34-22-11-12-26-20(17-22)9-10-23(32-26)19-37-15-4-3-5-16-37;2*35-34(36)23-5-4-6-24(17-23)37-27-25-11-12-29-26(25)31-28(32-27)30-22-10-9-20-15-19(7-8-21(20)16-22)18-33-13-2-1-3-14-33;29-22-5-4-6-24(17-22)35-27-25-11-12-30-26(25)32-28(33-27)31-23-10-9-20-15-19(7-8-21(20)16-23)18-34-13-2-1-3-14-34;19-18(20)14-6-7-15-12(10-14)4-5-13(16-15)11-17-8-2-1-3-9-17;16-13-5-7-15-12(10-13)4-6-14(17-15)11-18-8-2-1-3-9-18;13-12-15-10-9(4-5-14-10)11(16-12)20-8-3-1-2-7(6-8)17(18)19;13-6-8-2-1-7-5-9(12(14)15)3-4-10(7)11-8;1-3-5-4-2;1-2-3(4)5;/h2,6-14,17-18H,1,3-5,15-16,19H2,(H,33,38)(H2,31,34,35,36);2*4-12,15-17H,1-3,13-14,18H2,(H2,29,30,31,32);4-12,15-17H,1-3,13-14,18,29H2,(H2,30,31,32,33);4-7,10H,1-3,8-9,11H2;4-7,10H,1-3,8-9,11,16H2;1-6H,(H,14,15,16);1-6H;5H,3-4H2,1-2H3;2H,1H2;1H4
• InChIKey: UZCNLNXSHWJKJS-UHFFFAOYSA-N
• XLogP: 38.84
• TPSA: 716.13 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 45
• Rotatable Bonds: 41
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3158.48
LogP ≤ 5	38.84
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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 4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-chloro-4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidine;N-ethylethanamine;methane;bis(4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine);6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride?

The IUPAC name of 4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-chloro-4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidine;N-ethylethanamine;methane;bis(4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine);6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride (CID 161233866) is 4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-chloro-4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidine;N-ethylethanamine;methane;bis(4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine);6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride.

What is the SMILES notation for 4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-chloro-4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidine;N-ethylethanamine;methane;bis(4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine);6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride?

The canonical SMILES for 4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-chloro-4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidine;N-ethylethanamine;methane;bis(4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine);6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride is C.C=CC(=O)Cl.C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc4nc(CN5CCCCC5)ccc4c3)nc3[nH]ccc23)c1.CCNCC.Nc1ccc2nc(CN3CCCCC3)ccc2c1.Nc1cccc(Oc2nc(Nc3ccc4cc(CN5CCCCC5)ccc4c3)nc3[nH]ccc23)c1.O=Cc1ccc2cc([N+](=O)[O-])ccc2n1.O=[N+]([O-])c1ccc2nc(CN3CCCCC3)ccc2c1.O=[N+]([O-])c1cccc(Oc2nc(Cl)nc3[nH]ccc23)c1.O=[N+]([O-])c1cccc(Oc2nc(Nc3ccc4cc(CN5CCCCC5)ccc4c3)nc3[nH]ccc23)c1.O=[N+]([O-])c1cccc(Oc2nc(Nc3ccc4cc(CN5CCCCC5)ccc4c3)nc3[nH]ccc23)c1.

What is the InChIKey of 4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-chloro-4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidine;N-ethylethanamine;methane;bis(4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine);6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride?

The InChIKey is UZCNLNXSHWJKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N7O2.2C28H26N6O3.C28H28N6O.C15H17N3O2.C15H19N3.C12H7ClN4O3.C10H6N2O3.C4H11N.C3H3ClO.CH4/c1-2-27(38)33-21-7-6-8-24(18-21)39-29-25-13-14-31-28(25)35-30(36-29)34-22-11-12-26-20(17-22)9-10-23(32-26)19-37-15-4-3-5-16-37;2*35-34(36)23-5-4-6-24(17-23)37-27-25-11-12-29-26(25)31-28(32-27)30-22-10-9-20-15-19(7-8-21(20)16-22)18-33-13-2-1-3-14-33;29-22-5-4-6-24(17-22)35-27-25-11-12-30-26(25)32-28(33-27)31-23-10-9-20-15-19(7-8-21(20)16-23)18-34-13-2-1-3-14-34;19-18(20)14-6-7-15-12(10-14)4-5-13(16-15)11-17-8-2-1-3-9-17;16-13-5-7-15-12(10-13)4-6-14(17-15)11-18-8-2-1-3-9-18;13-12-15-10-9(4-5-14-10)11(16-12)20-8-3-1-2-7(6-8)17(18)19;13-6-8-2-1-7-5-9(12(14)15)3-4-10(7)11-8;1-3-5-4-2;1-2-3(4)5;/h2,6-14,17-18H,1,3-5,15-16,19H2,(H,33,38)(H2,31,34,35,36);2*4-12,15-17H,1-3,13-14,18H2,(H2,29,30,31,32);4-12,15-17H,1-3,13-14,18,29H2,(H2,30,31,32,33);4-7,10H,1-3,8-9,11H2;4-7,10H,1-3,8-9,11,16H2;1-6H,(H,14,15,16);1-6H;5H,3-4H2,1-2H3;2H,1H2;1H4.

What are the key properties of 4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-chloro-4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidine;N-ethylethanamine;methane;bis(4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine);6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride?

4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-chloro-4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidine;N-ethylethanamine;methane;bis(4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine);6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride has a molecular weight of 3158.48 g/mol, XLogP of 38.84, 41 rotatable bonds, 13 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-chloro-4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidine;N-ethylethanamine;methane;bis(4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine);6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride is sourced from PubChem (CID 161233866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).