N-[6-(cyclopropylmethoxy)-2-[1-[[7-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C43H48FN9O4 — CID 170740967

About N-[6-(cyclopropylmethoxy)-2-[1-[[7-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[6-(cyclopropylmethoxy)-2-[1-[[7-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 170740967) has the molecular formula C43H48FN9O4 and a molecular weight of 773.91 g/mol. Its IUPAC name is N-[6-(cyclopropylmethoxy)-2-[1-[[7-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(cyclopropylmethoxy)-2-[1-[[7-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 170740967
• Molecular Formula: C43H48FN9O4
• Molecular Weight: 773.91 g/mol
• Exact Mass: 773.38
• IUPAC Name: N-[6-(cyclopropylmethoxy)-2-[1-[[7-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C1CCC(c2ccc(N3CCC4(CC3)CC(CN3CCC(n5cc6cc(NC(=O)c7cnn8cccnc78)c(OCC7CC7)cc6n5)CC3)C4)cc2F)C(=O)N1
• InChI: InChI=1S/C43H48FN9O4/c44-35-19-31(4-5-32(35)33-6-7-39(54)48-41(33)55)51-16-10-43(11-17-51)21-28(22-43)24-50-14-8-30(9-15-50)53-25-29-18-37(38(20-36(29)49-53)57-26-27-2-3-27)47-42(56)34-23-46-52-13-1-12-45-40(34)52/h1,4-5,12-13,18-20,23,25,27-28,30,33H,2-3,6-11,14-17,21-22,24,26H2,(H,47,56)(H,48,54,55)
• InChIKey: DXCJQFOXYIWZNE-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 138.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	773.91
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropylmethoxy)-2-[1-[[7-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[6-(cyclopropylmethoxy)-2-[1-[[7-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 170740967) is N-[6-(cyclopropylmethoxy)-2-[1-[[7-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[6-(cyclopropylmethoxy)-2-[1-[[7-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[6-(cyclopropylmethoxy)-2-[1-[[7-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C1CCC(c2ccc(N3CCC4(CC3)CC(CN3CCC(n5cc6cc(NC(=O)c7cnn8cccnc78)c(OCC7CC7)cc6n5)CC3)C4)cc2F)C(=O)N1.

What is the InChIKey of N-[6-(cyclopropylmethoxy)-2-[1-[[7-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is DXCJQFOXYIWZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48FN9O4/c44-35-19-31(4-5-32(35)33-6-7-39(54)48-41(33)55)51-16-10-43(11-17-51)21-28(22-43)24-50-14-8-30(9-15-50)53-25-29-18-37(38(20-36(29)49-53)57-26-27-2-3-27)47-42(56)34-23-46-52-13-1-12-45-40(34)52/h1,4-5,12-13,18-20,23,25,27-28,30,33H,2-3,6-11,14-17,21-22,24,26H2,(H,47,56)(H,48,54,55).

What are the key properties of N-[6-(cyclopropylmethoxy)-2-[1-[[7-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[6-(cyclopropylmethoxy)-2-[1-[[7-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 773.91 g/mol, XLogP of 6.11, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(cyclopropylmethoxy)-2-[1-[[7-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 170740967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).