(7R)-N-[3-[2-[4-[[1-[1-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-3-yl]methyl]piperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide

C47H52N14O5 — CID 170452152

About (7R)-N-[3-[2-[4-[[1-[1-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-3-yl]methyl]piperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide

(7R)-N-[3-[2-[4-[[1-[1-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-3-yl]methyl]piperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 170452152) has the molecular formula C47H52N14O5 and a molecular weight of 893.03 g/mol. Its IUPAC name is (7R)-N-[3-[2-[4-[[1-[1-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-3-yl]methyl]piperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: (7R)-N-[3-[2-[4-[[1-[1-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-3-yl]methyl]piperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 170452152
• Molecular Formula: C47H52N14O5
• Molecular Weight: 893.03 g/mol
• Exact Mass: 892.42
• IUPAC Name: (7R)-N-[3-[2-[4-[[1-[1-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-3-yl]methyl]piperazin-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(CC6CN(C7CCN(c8ccc9c(c8)C(=O)N(C8CCC(=O)CC8=O)C9=O)CC7)C6)CC5)c4)c3c2)[C@@H](C)n2nnnc2N1C
• InChI: InChI=1S/C47H52N14O5/c1-27-42(28(2)61-47(55(27)3)52-53-54-61)44(64)49-31-4-8-38-37(21-31)43(51-50-38)30-10-13-48-41(20-30)58-18-16-56(17-19-58)24-29-25-59(26-29)32-11-14-57(15-12-32)33-5-7-35-36(22-33)46(66)60(45(35)65)39-9-6-34(62)23-40(39)63/h4-5,7-8,10,13,20-22,28-29,32,39H,6,9,11-12,14-19,23-26H2,1-3H3,(H,49,64)(H,50,51)/t28-,39?/m1/s1
• InChIKey: WMUWZCPDGPDNMR-RRZXGEHQSA-N
• XLogP: 3.54
• TPSA: 201.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.03
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (7R)-N-[3-[2-[4-[[1-[1-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-3-yl]methyl]piperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 170452152) is (7R)-N-[3-[2-[4-[[1-[1-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-3-yl]methyl]piperazin-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 (7R)-N-[3-[2-[4-[[1-[1-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-3-yl]methyl]piperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for (7R)-N-[3-[2-[4-[[1-[1-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-3-yl]methyl]piperazin-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(CC6CN(C7CCN(c8ccc9c(c8)C(=O)N(C8CCC(=O)CC8=O)C9=O)CC7)C6)CC5)c4)c3c2)[C@@H](C)n2nnnc2N1C.

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

The InChIKey is WMUWZCPDGPDNMR-RRZXGEHQSA-N. The full InChI is InChI=1S/C47H52N14O5/c1-27-42(28(2)61-47(55(27)3)52-53-54-61)44(64)49-31-4-8-38-37(21-31)43(51-50-38)30-10-13-48-41(20-30)58-18-16-56(17-19-58)24-29-25-59(26-29)32-11-14-57(15-12-32)33-5-7-35-36(22-33)46(66)60(45(35)65)39-9-6-34(62)23-40(39)63/h4-5,7-8,10,13,20-22,28-29,32,39H,6,9,11-12,14-19,23-26H2,1-3H3,(H,49,64)(H,50,51)/t28-,39?/m1/s1.

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

(7R)-N-[3-[2-[4-[[1-[1-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-3-yl]methyl]piperazin-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 893.03 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-N-[3-[2-[4-[[1-[1-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-3-yl]methyl]piperazin-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 170452152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).