(7S)-N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide

C50H59N15O5 — CID 164700662

About (7S)-N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide

(7S)-N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 164700662) has the molecular formula C50H59N15O5 and a molecular weight of 950.12 g/mol. Its IUPAC name is (7S)-N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: (7S)-N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 164700662
• Molecular Formula: C50H59N15O5
• Molecular Weight: 950.12 g/mol
• Exact Mass: 949.48
• IUPAC Name: (7S)-N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5CCN(CC6CCN(CC7CCN(c8ccc9c(c8)C(=O)N(C8CCC(=O)NC8=O)C9=O)CC7)CC6)[C@@H](C)C5)c4)c3c2)[C@H](C)n2nnnc2N1C
• InChI: InChI=1S/C50H59N15O5/c1-29-26-63(42-23-34(11-16-51-42)45-39-24-35(5-8-40(39)54-55-45)52-47(68)44-30(2)59(4)50-56-57-58-65(50)31(44)3)22-21-62(29)28-33-12-17-60(18-13-33)27-32-14-19-61(20-15-32)36-6-7-37-38(25-36)49(70)64(48(37)69)41-9-10-43(66)53-46(41)67/h5-8,11,16,23-25,29,31-33,41H,9-10,12-15,17-22,26-28H2,1-4H3,(H,52,68)(H,54,55)(H,53,66,67)/t29-,31-,41?/m0/s1
• InChIKey: CKSQHVNOZKWQII-YOPYPADPSA-N
• XLogP: 4.08
• TPSA: 214.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	950.12
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (7S)-N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of (7S)-N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 164700662) is (7S)-N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for (7S)-N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for (7S)-N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5CCN(CC6CCN(CC7CCN(c8ccc9c(c8)C(=O)N(C8CCC(=O)NC8=O)C9=O)CC7)CC6)[C@@H](C)C5)c4)c3c2)[C@H](C)n2nnnc2N1C.

What is the InChIKey of (7S)-N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is CKSQHVNOZKWQII-YOPYPADPSA-N. The full InChI is InChI=1S/C50H59N15O5/c1-29-26-63(42-23-34(11-16-51-42)45-39-24-35(5-8-40(39)54-55-45)52-47(68)44-30(2)59(4)50-56-57-58-65(50)31(44)3)22-21-62(29)28-33-12-17-60(18-13-33)27-32-14-19-61(20-15-32)36-6-7-37-38(25-36)49(70)64(48(37)69)41-9-10-43(66)53-46(41)67/h5-8,11,16,23-25,29,31-33,41H,9-10,12-15,17-22,26-28H2,1-4H3,(H,52,68)(H,54,55)(H,53,66,67)/t29-,31-,41?/m0/s1.

What are the key properties of (7S)-N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?

(7S)-N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 950.12 g/mol, XLogP of 4.08, 10 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 164700662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).