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

C100H124N48O4 — CID 163867583

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

4,5-dimethyl-N-[3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;4,5,7-trimethyl-N-[3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 163867583) has the molecular formula C100H124N48O4 and a molecular weight of 2062.42 g/mol. Its IUPAC name is 4,5-dimethyl-N-[3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;4,5,7-trimethyl-N-[3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 4,5-dimethyl-N-[3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;4,5,7-trimethyl-N-[3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 163867583
• Molecular Formula: C100H124N48O4
• Molecular Weight: 2062.42 g/mol
• Exact Mass: 2061.10
• IUPAC Name: 4,5-dimethyl-N-[3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;4,5,7-trimethyl-N-[3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC.CC.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCN(C)[C@@H](C)C5)ncn4)c3c2)C(C)n2nnnc2N1C.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCN(C)[C@@H](C)C5)ncn4)c3c2)Cn2nnnc2N1C.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCN[C@@H](C)C5)ncn4)c3c2)C(C)n2nnnc2N1C.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCN[C@@H](C)C5)ncn4)c3c2)Cn2nnnc2N1C
• InChI: InChI=1S/C25H30N12O.2C24H28N12O.C23H26N12O.2C2H6/c1-14-12-36(9-8-34(14)4)21-11-20(26-13-27-21)23-18-10-17(6-7-19(18)29-30-23)28-24(38)22-15(2)35(5)25-31-32-33-37(25)16(22)3;1-14-11-35(8-7-33(14)3)21-10-20(25-13-26-21)22-17-9-16(5-6-19(17)28-29-22)27-23(37)18-12-36-24(30-31-32-36)34(4)15(18)2;1-13-11-35(8-7-25-13)20-10-19(26-12-27-20)22-17-9-16(5-6-18(17)29-30-22)28-23(37)21-14(2)34(4)24-31-32-33-36(24)15(21)3;1-13-10-34(7-6-24-13)20-9-19(25-12-26-20)21-16-8-15(4-5-18(16)28-29-21)27-22(36)17-11-35-23(30-31-32-35)33(3)14(17)2;2*1-2/h6-7,10-11,13-14,16H,8-9,12H2,1-5H3,(H,28,38)(H,29,30);5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H,27,37)(H,28,29);5-6,9-10,12-13,15,25H,7-8,11H2,1-4H3,(H,28,37)(H,29,30);4-5,8-9,12-13,24H,6-7,10-11H2,1-3H3,(H,27,36)(H,28,29);2*1-2H3/t14-,16?;14-;13-,15?;13-;;/m0000../s1
• InChIKey: PHZFWZNIJSQUPJ-UAGNYKMQSA-N
• XLogP: 8.53
• TPSA: 565.10 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 44
• Rotatable Bonds: 16
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2062.42
LogP ≤ 5	8.53
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

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

The IUPAC name of 4,5-dimethyl-N-[3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;4,5,7-trimethyl-N-[3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 163867583) is 4,5-dimethyl-N-[3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;4,5,7-trimethyl-N-[3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for 4,5-dimethyl-N-[3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;4,5,7-trimethyl-N-[3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is CC.CC.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCN(C)[C@@H](C)C5)ncn4)c3c2)C(C)n2nnnc2N1C.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCN(C)[C@@H](C)C5)ncn4)c3c2)Cn2nnnc2N1C.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCN[C@@H](C)C5)ncn4)c3c2)C(C)n2nnnc2N1C.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCN[C@@H](C)C5)ncn4)c3c2)Cn2nnnc2N1C.

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

The InChIKey is PHZFWZNIJSQUPJ-UAGNYKMQSA-N. The full InChI is InChI=1S/C25H30N12O.2C24H28N12O.C23H26N12O.2C2H6/c1-14-12-36(9-8-34(14)4)21-11-20(26-13-27-21)23-18-10-17(6-7-19(18)29-30-23)28-24(38)22-15(2)35(5)25-31-32-33-37(25)16(22)3;1-14-11-35(8-7-33(14)3)21-10-20(25-13-26-21)22-17-9-16(5-6-19(17)28-29-22)27-23(37)18-12-36-24(30-31-32-36)34(4)15(18)2;1-13-11-35(8-7-25-13)20-10-19(26-12-27-20)22-17-9-16(5-6-18(17)29-30-22)28-23(37)21-14(2)34(4)24-31-32-33-36(24)15(21)3;1-13-10-34(7-6-24-13)20-9-19(25-12-26-20)21-16-8-15(4-5-18(16)28-29-21)27-22(36)17-11-35-23(30-31-32-35)33(3)14(17)2;2*1-2/h6-7,10-11,13-14,16H,8-9,12H2,1-5H3,(H,28,38)(H,29,30);5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H,27,37)(H,28,29);5-6,9-10,12-13,15,25H,7-8,11H2,1-4H3,(H,28,37)(H,29,30);4-5,8-9,12-13,24H,6-7,10-11H2,1-3H3,(H,27,36)(H,28,29);2*1-2H3/t14-,16?;14-;13-,15?;13-;;/m0000../s1.

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

4,5-dimethyl-N-[3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;4,5,7-trimethyl-N-[3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 2062.42 g/mol, XLogP of 8.53, 16 rotatable bonds, 10 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyl-N-[3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;N-[3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide;ethane;4,5,7-trimethyl-N-[3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 163867583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).