tert-butyl 1-[4-[6-(1-amino-3-methyliminoprop-1-en-2-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-carboxylate;N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide;3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;4-[4-[6-(4-methoxy-3-pyridinyl)indazol-1-yl]-2-pyridinyl]morpholine;3-methylimino-2-[1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine;7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C137H154N38O9S — CID 159674819

About tert-butyl 1-[4-[6-(1-amino-3-methyliminoprop-1-en-2-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-carboxylate;N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide;3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;4-[4-[6-(4-methoxy-3-pyridinyl)indazol-1-yl]-2-pyridinyl]morpholine;3-methylimino-2-[1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine;7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

tert-butyl 1-[4-[6-(1-amino-3-methyliminoprop-1-en-2-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-carboxylate;N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide;3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;4-[4-[6-(4-methoxy-3-pyridinyl)indazol-1-yl]-2-pyridinyl]morpholine;3-methylimino-2-[1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine;7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 159674819) has the molecular formula C137H154N38O9S and a molecular weight of 2509.06 g/mol. Its IUPAC name is tert-butyl 1-[4-[6-(1-amino-3-methyliminoprop-1-en-2-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-carboxylate;N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide;3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;4-[4-[6-(4-methoxy-3-pyridinyl)indazol-1-yl]-2-pyridinyl]morpholine;3-methylimino-2-[1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine;7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

• Compound Name: tert-butyl 1-[4-[6-(1-amino-3-methyliminoprop-1-en-2-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-carboxylate;N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide;3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;4-[4-[6-(4-methoxy-3-pyridinyl)indazol-1-yl]-2-pyridinyl]morpholine;3-methylimino-2-[1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine;7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
• PubChem CID: 159674819
• Molecular Formula: C137H154N38O9S
• Molecular Weight: 2509.06 g/mol
• Exact Mass: 2507.25
• IUPAC Name: tert-butyl 1-[4-[6-(1-amino-3-methyliminoprop-1-en-2-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-carboxylate;N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide;3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;4-[4-[6-(4-methoxy-3-pyridinyl)indazol-1-yl]-2-pyridinyl]morpholine;3-methylimino-2-[1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine;7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
• SMILES: C/N=C/C(=CN)c1ccc2cnn(-c3ccnc(N4CCC(C(=O)OC(C)(C)C)CC4)c3)c2c1.C/N=C/C(=CN)c1ccc2cnn(-c3ccnc(N4CCC(S(C)(=O)=O)CC4)c3)c2c1.CC(C)Oc1ccc2cnn(-c3ccnc(N4CCn5ccnc5C4)c3)c2c1.CCc1nnc2n1CCN(c1cc(-n3ncc4ccc(OC(C)C)cc43)ccn1)C2.CN(C)C(=O)CN1CCN(c2cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn2)CC1.COc1ccncc1-c1ccc2cnn(-c3ccnc(N4CCOCC4)c3)c2c1
• InChI: InChI=1S/C26H32N6O2.C24H28N8O.C22H25N7O.C22H26N6O2S.C22H21N5O2.C21H22N6O/c1-26(2,3)34-25(33)18-8-11-31(12-9-18)24-14-22(7-10-29-24)32-23-13-19(21(15-27)16-28-4)5-6-20(23)17-30-32;1-28(2)24(33)17-30-8-10-31(11-9-30)23-13-21(6-7-25-23)32-22-12-18(4-5-19(22)14-27-32)20-15-26-29(3)16-20;1-4-20-25-26-22-14-27(9-10-28(20)22)21-11-17(7-8-23-21)29-19-12-18(30-15(2)3)6-5-16(19)13-24-29;1-24-14-18(13-23)16-3-4-17-15-26-28(21(17)11-16)19-5-8-25-22(12-19)27-9-6-20(7-10-27)31(2,29)30;1-28-21-5-6-23-15-19(21)16-2-3-17-14-25-27(20(17)12-16)18-4-7-24-22(13-18)26-8-10-29-11-9-26;1-15(2)28-18-4-3-16-13-24-27(19(16)12-18)17-5-6-22-20(11-17)26-10-9-25-8-7-23-21(25)14-26/h5-7,10,13-18H,8-9,11-12,27H2,1-4H3;4-7,12-16H,8-11,17H2,1-3H3;5-8,11-13,15H,4,9-10,14H2,1-3H3;3-5,8,11-15,20H,6-7,9-10,23H2,1-2H3;2-7,12-15H,8-11H2,1H3;3-8,11-13,15H,9-10,14H2,1-2H3/b21-15?,28-16+;;;18-13?,24-14+
• InChIKey: YHFSFIFLAXSFLB-NEGDVVGQSA-N
• XLogP: 18.58
• TPSA: 480.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 46
• Rotatable Bonds: 28
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2509.06
LogP ≤ 5	18.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[4-[6-(1-amino-3-methyliminoprop-1-en-2-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-carboxylate;N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide;3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;4-[4-[6-(4-methoxy-3-pyridinyl)indazol-1-yl]-2-pyridinyl]morpholine;3-methylimino-2-[1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine;7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?

The IUPAC name of tert-butyl 1-[4-[6-(1-amino-3-methyliminoprop-1-en-2-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-carboxylate;N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide;3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;4-[4-[6-(4-methoxy-3-pyridinyl)indazol-1-yl]-2-pyridinyl]morpholine;3-methylimino-2-[1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine;7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 159674819) is tert-butyl 1-[4-[6-(1-amino-3-methyliminoprop-1-en-2-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-carboxylate;N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide;3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;4-[4-[6-(4-methoxy-3-pyridinyl)indazol-1-yl]-2-pyridinyl]morpholine;3-methylimino-2-[1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine;7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

What is the SMILES notation for tert-butyl 1-[4-[6-(1-amino-3-methyliminoprop-1-en-2-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-carboxylate;N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide;3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;4-[4-[6-(4-methoxy-3-pyridinyl)indazol-1-yl]-2-pyridinyl]morpholine;3-methylimino-2-[1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine;7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?

The canonical SMILES for tert-butyl 1-[4-[6-(1-amino-3-methyliminoprop-1-en-2-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-carboxylate;N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide;3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;4-[4-[6-(4-methoxy-3-pyridinyl)indazol-1-yl]-2-pyridinyl]morpholine;3-methylimino-2-[1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine;7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is C/N=C/C(=CN)c1ccc2cnn(-c3ccnc(N4CCC(C(=O)OC(C)(C)C)CC4)c3)c2c1.C/N=C/C(=CN)c1ccc2cnn(-c3ccnc(N4CCC(S(C)(=O)=O)CC4)c3)c2c1.CC(C)Oc1ccc2cnn(-c3ccnc(N4CCn5ccnc5C4)c3)c2c1.CCc1nnc2n1CCN(c1cc(-n3ncc4ccc(OC(C)C)cc43)ccn1)C2.CN(C)C(=O)CN1CCN(c2cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn2)CC1.COc1ccncc1-c1ccc2cnn(-c3ccnc(N4CCOCC4)c3)c2c1.

What is the InChIKey of tert-butyl 1-[4-[6-(1-amino-3-methyliminoprop-1-en-2-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-carboxylate;N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide;3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;4-[4-[6-(4-methoxy-3-pyridinyl)indazol-1-yl]-2-pyridinyl]morpholine;3-methylimino-2-[1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine;7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?

The InChIKey is YHFSFIFLAXSFLB-NEGDVVGQSA-N. The full InChI is InChI=1S/C26H32N6O2.C24H28N8O.C22H25N7O.C22H26N6O2S.C22H21N5O2.C21H22N6O/c1-26(2,3)34-25(33)18-8-11-31(12-9-18)24-14-22(7-10-29-24)32-23-13-19(21(15-27)16-28-4)5-6-20(23)17-30-32;1-28(2)24(33)17-30-8-10-31(11-9-30)23-13-21(6-7-25-23)32-22-12-18(4-5-19(22)14-27-32)20-15-26-29(3)16-20;1-4-20-25-26-22-14-27(9-10-28(20)22)21-11-17(7-8-23-21)29-19-12-18(30-15(2)3)6-5-16(19)13-24-29;1-24-14-18(13-23)16-3-4-17-15-26-28(21(17)11-16)19-5-8-25-22(12-19)27-9-6-20(7-10-27)31(2,29)30;1-28-21-5-6-23-15-19(21)16-2-3-17-14-25-27(20(17)12-16)18-4-7-24-22(13-18)26-8-10-29-11-9-26;1-15(2)28-18-4-3-16-13-24-27(19(16)12-18)17-5-6-22-20(11-17)26-10-9-25-8-7-23-21(25)14-26/h5-7,10,13-18H,8-9,11-12,27H2,1-4H3;4-7,12-16H,8-11,17H2,1-3H3;5-8,11-13,15H,4,9-10,14H2,1-3H3;3-5,8,11-15,20H,6-7,9-10,23H2,1-2H3;2-7,12-15H,8-11H2,1H3;3-8,11-13,15H,9-10,14H2,1-2H3/b21-15?,28-16+;;;18-13?,24-14+;;.

What are the key properties of tert-butyl 1-[4-[6-(1-amino-3-methyliminoprop-1-en-2-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-carboxylate;N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide;3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;4-[4-[6-(4-methoxy-3-pyridinyl)indazol-1-yl]-2-pyridinyl]morpholine;3-methylimino-2-[1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine;7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?

tert-butyl 1-[4-[6-(1-amino-3-methyliminoprop-1-en-2-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-carboxylate;N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide;3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;4-[4-[6-(4-methoxy-3-pyridinyl)indazol-1-yl]-2-pyridinyl]morpholine;3-methylimino-2-[1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine;7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 2509.06 g/mol, XLogP of 18.58, 28 rotatable bonds, 2 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 1-[4-[6-(1-amino-3-methyliminoprop-1-en-2-yl)indazol-1-yl]-2-pyridinyl]piperidine-4-carboxylate;N,N-dimethyl-2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]acetamide;3-ethyl-7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;4-[4-[6-(4-methoxy-3-pyridinyl)indazol-1-yl]-2-pyridinyl]morpholine;3-methylimino-2-[1-[2-(4-methylsulfonylpiperidin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine;7-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 159674819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).