4,5-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide

C104H128N44O4 — CID 163957219

About 4,5-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide

4,5-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 163957219) has the molecular formula C104H128N44O4 and a molecular weight of 2058.47 g/mol. Its IUPAC name is 4,5-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 4,5-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 163957219
• Molecular Formula: C104H128N44O4
• Molecular Weight: 2058.47 g/mol
• Exact Mass: 2057.12
• IUPAC Name: 4,5-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC.CC.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5CCN(C)CC5)c4)c3c2)C(C)n2nnnc2N1C.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5CCN(C)CC5)c4)c3c2)Cn2nnnc2N1C.CCN1CCN(c2cc(-c3n[nH]c4ccc(NC(=O)C5=C(C)N(C)c6nnnn6C5)cc34)ccn2)CC1.CCN1CCN(c2cc(-c3n[nH]c4ccc(NC(=O)C5=C(C)N(C)c6nnnn6C5C)cc34)ccn2)CC1
• InChI: InChI=1S/C26H31N11O.2C25H29N11O.C24H27N11O.2C2H6/c1-5-35-10-12-36(13-11-35)22-14-18(8-9-27-22)24-20-15-19(6-7-21(20)29-30-24)28-25(38)23-16(2)34(4)26-31-32-33-37(26)17(23)3;1-15-22(16(2)36-25(34(15)4)30-31-32-36)24(37)27-18-5-6-20-19(14-18)23(29-28-20)17-7-8-26-21(13-17)35-11-9-33(3)10-12-35;1-4-34-9-11-35(12-10-34)22-13-17(7-8-26-22)23-19-14-18(5-6-21(19)28-29-23)27-24(37)20-15-36-25(30-31-32-36)33(3)16(20)2;1-15-19(14-35-24(33(15)3)29-30-31-35)23(36)26-17-4-5-20-18(13-17)22(28-27-20)16-6-7-25-21(12-16)34-10-8-32(2)9-11-34;2*1-2/h6-9,14-15,17H,5,10-13H2,1-4H3,(H,28,38)(H,29,30);5-8,13-14,16H,9-12H2,1-4H3,(H,27,37)(H,28,29);5-8,13-14H,4,9-12,15H2,1-3H3,(H,27,37)(H,28,29);4-7,12-13H,8-11,14H2,1-3H3,(H,26,36)(H,27,28);2*1-2H3
• InChIKey: SEKRRMATTQZIGL-UHFFFAOYSA-N
• XLogP: 10.86
• TPSA: 495.96 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 18
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2058.47
LogP ≤ 5	10.86
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of 4,5-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 163957219) is 4,5-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 4,5-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for 4,5-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is CC.CC.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5CCN(C)CC5)c4)c3c2)C(C)n2nnnc2N1C.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5CCN(C)CC5)c4)c3c2)Cn2nnnc2N1C.CCN1CCN(c2cc(-c3n[nH]c4ccc(NC(=O)C5=C(C)N(C)c6nnnn6C5)cc34)ccn2)CC1.CCN1CCN(c2cc(-c3n[nH]c4ccc(NC(=O)C5=C(C)N(C)c6nnnn6C5C)cc34)ccn2)CC1.

What is the InChIKey of 4,5-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is SEKRRMATTQZIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N11O.2C25H29N11O.C24H27N11O.2C2H6/c1-5-35-10-12-36(13-11-35)22-14-18(8-9-27-22)24-20-15-19(6-7-21(20)29-30-24)28-25(38)23-16(2)34(4)26-31-32-33-37(26)17(23)3;1-15-22(16(2)36-25(34(15)4)30-31-32-36)24(37)27-18-5-6-20-19(14-18)23(29-28-20)17-7-8-26-21(13-17)35-11-9-33(3)10-12-35;1-4-34-9-11-35(12-10-34)22-13-17(7-8-26-22)23-19-14-18(5-6-21(19)28-29-23)27-24(37)20-15-36-25(30-31-32-36)33(3)16(20)2;1-15-19(14-35-24(33(15)3)29-30-31-35)23(36)26-17-4-5-20-18(13-17)22(28-27-20)16-6-7-25-21(12-16)34-10-8-32(2)9-11-34;2*1-2/h6-9,14-15,17H,5,10-13H2,1-4H3,(H,28,38)(H,29,30);5-8,13-14,16H,9-12H2,1-4H3,(H,27,37)(H,28,29);5-8,13-14H,4,9-12,15H2,1-3H3,(H,27,37)(H,28,29);4-7,12-13H,8-11,14H2,1-3H3,(H,26,36)(H,27,28);2*1-2H3.

What are the key properties of 4,5-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?

4,5-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 2058.47 g/mol, XLogP of 10.86, 18 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;4,5,7-trimethyl-N-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 163957219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).