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

C53H68N24O2 — CID 163723207

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

(7R)-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;(7R)-N-[3-[6-[(3S)-4-ethyl-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 163723207) has the molecular formula C53H68N24O2 and a molecular weight of 1073.29 g/mol. Its IUPAC name is (7R)-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;(7R)-N-[3-[6-[(3S)-4-ethyl-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: (7R)-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;(7R)-N-[3-[6-[(3S)-4-ethyl-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 163723207
• Molecular Formula: C53H68N24O2
• Molecular Weight: 1073.29 g/mol
• Exact Mass: 1072.60
• IUPAC Name: (7R)-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;(7R)-N-[3-[6-[(3S)-4-ethyl-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCN(C)[C@@H](C)C5)ncn4)c3c2)[C@@H](C)n2nnnc2N1C.CCN1CCN(c2cc(-c3n[nH]c4ccc(NC(=O)C5=C(C)N(C)c6nnnn6[C@@H]5C)cc34)ncn2)C[C@@H]1C
• InChI: InChI=1S/C26H32N12O.C25H30N12O.C2H6/c1-6-36-9-10-37(13-15(36)2)22-12-21(27-14-28-22)24-19-11-18(7-8-20(19)30-31-24)29-25(39)23-16(3)35(5)26-32-33-34-38(26)17(23)4;1-14-12-36(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;1-2/h7-8,11-12,14-15,17H,6,9-10,13H2,1-5H3,(H,29,39)(H,30,31);6-7,10-11,13-14,16H,8-9,12H2,1-5H3,(H,28,38)(H,29,30);1-2H3/t15-,17+;14-,16+;/m00./s1
• InChIKey: KTIYEWBPYDTHEK-YHYXCUFMSA-N
• XLogP: 5.56
• TPSA: 273.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 9
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1073.29
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of (7R)-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;(7R)-N-[3-[6-[(3S)-4-ethyl-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 163723207) is (7R)-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;(7R)-N-[3-[6-[(3S)-4-ethyl-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for (7R)-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;(7R)-N-[3-[6-[(3S)-4-ethyl-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is CC.CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCN(C)[C@@H](C)C5)ncn4)c3c2)[C@@H](C)n2nnnc2N1C.CCN1CCN(c2cc(-c3n[nH]c4ccc(NC(=O)C5=C(C)N(C)c6nnnn6[C@@H]5C)cc34)ncn2)C[C@@H]1C.

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

The InChIKey is KTIYEWBPYDTHEK-YHYXCUFMSA-N. The full InChI is InChI=1S/C26H32N12O.C25H30N12O.C2H6/c1-6-36-9-10-37(13-15(36)2)22-12-21(27-14-28-22)24-19-11-18(7-8-20(19)30-31-24)29-25(39)23-16(3)35(5)26-32-33-34-38(26)17(23)4;1-14-12-36(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;1-2/h7-8,11-12,14-15,17H,6,9-10,13H2,1-5H3,(H,29,39)(H,30,31);6-7,10-11,13-14,16H,8-9,12H2,1-5H3,(H,28,38)(H,29,30);1-2H3/t15-,17+;14-,16+;/m00./s1.

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

(7R)-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;(7R)-N-[3-[6-[(3S)-4-ethyl-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 1073.29 g/mol, XLogP of 5.56, 9 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-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;(7R)-N-[3-[6-[(3S)-4-ethyl-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 163723207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).