(7R)-4,5,7-trimethyl-N-[3-[2-[6-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide

C45H48N14O4 — CID 170452159

About (7R)-4,5,7-trimethyl-N-[3-[2-[6-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide

(7R)-4,5,7-trimethyl-N-[3-[2-[6-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 170452159) has the molecular formula C45H48N14O4 and a molecular weight of 848.97 g/mol. Its IUPAC name is (7R)-4,5,7-trimethyl-N-[3-[2-[6-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: (7R)-4,5,7-trimethyl-N-[3-[2-[6-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 170452159
• Molecular Formula: C45H48N14O4
• Molecular Weight: 848.97 g/mol
• Exact Mass: 848.40
• IUPAC Name: (7R)-4,5,7-trimethyl-N-[3-[2-[6-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: C=C1CCC(N2C(=O)c3ccc(N4CCC(CN5CC6(C5)CN(c5cc(-c7n[nH]c8ccc(NC(=O)C9=C(C)N(C)c%10nnnn%10[C@@H]9C)cc78)ccn5)C6)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C45H48N14O4/c1-25-5-10-36(40(60)47-25)58-42(62)32-8-7-31(19-33(32)43(58)63)56-15-12-28(13-16-56)20-55-21-45(22-55)23-57(24-45)37-17-29(11-14-46-37)39-34-18-30(6-9-35(34)49-50-39)48-41(61)38-26(2)54(4)44-51-52-53-59(44)27(38)3/h6-9,11,14,17-19,27-28,36H,1,5,10,12-13,15-16,20-24H2,2-4H3,(H,47,60)(H,48,61)(H,49,50)/t27-,36?/m1/s1
• InChIKey: HUEXDBKTJYCJID-YEBNLHQGSA-N
• XLogP: 3.96
• TPSA: 193.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.97
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (7R)-4,5,7-trimethyl-N-[3-[2-[6-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of (7R)-4,5,7-trimethyl-N-[3-[2-[6-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 170452159) is (7R)-4,5,7-trimethyl-N-[3-[2-[6-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for (7R)-4,5,7-trimethyl-N-[3-[2-[6-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for (7R)-4,5,7-trimethyl-N-[3-[2-[6-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is C=C1CCC(N2C(=O)c3ccc(N4CCC(CN5CC6(C5)CN(c5cc(-c7n[nH]c8ccc(NC(=O)C9=C(C)N(C)c%10nnnn%10[C@@H]9C)cc78)ccn5)C6)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of (7R)-4,5,7-trimethyl-N-[3-[2-[6-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is HUEXDBKTJYCJID-YEBNLHQGSA-N. The full InChI is InChI=1S/C45H48N14O4/c1-25-5-10-36(40(60)47-25)58-42(62)32-8-7-31(19-33(32)43(58)63)56-15-12-28(13-16-56)20-55-21-45(22-55)23-57(24-45)37-17-29(11-14-46-37)39-34-18-30(6-9-35(34)49-50-39)48-41(61)38-26(2)54(4)44-51-52-53-59(44)27(38)3/h6-9,11,14,17-19,27-28,36H,1,5,10,12-13,15-16,20-24H2,2-4H3,(H,47,60)(H,48,61)(H,49,50)/t27-,36?/m1/s1.

What are the key properties of (7R)-4,5,7-trimethyl-N-[3-[2-[6-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?

(7R)-4,5,7-trimethyl-N-[3-[2-[6-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 848.97 g/mol, XLogP of 3.96, 8 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-4,5,7-trimethyl-N-[3-[2-[6-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 170452159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).