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

C40H44FN9O4 — CID 170740894

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

N-[6-(cyclopropylmethoxy)-2-[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 170740894) has the molecular formula C40H44FN9O4 and a molecular weight of 733.85 g/mol. Its IUPAC name is N-[6-(cyclopropylmethoxy)-2-[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(cyclopropylmethoxy)-2-[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 170740894
• Molecular Formula: C40H44FN9O4
• Molecular Weight: 733.85 g/mol
• Exact Mass: 733.35
• IUPAC Name: N-[6-(cyclopropylmethoxy)-2-[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C1CCC(c2ccc(N3CCC(CN4CCC(n5cc6cc(NC(=O)c7cnn8cccnc78)c(OCC7CC7)cc6n5)CC4)CC3)cc2F)C(=O)N1
• InChI: InChI=1S/C40H44FN9O4/c41-33-19-29(4-5-30(33)31-6-7-37(51)45-39(31)52)48-16-8-25(9-17-48)22-47-14-10-28(11-15-47)50-23-27-18-35(36(20-34(27)46-50)54-24-26-2-3-26)44-40(53)32-21-43-49-13-1-12-42-38(32)49/h1,4-5,12-13,18-21,23,25-26,28,31H,2-3,6-11,14-17,22,24H2,(H,44,53)(H,45,51,52)
• InChIKey: PZYFWEBJWXNHPR-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 138.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	733.85
LogP ≤ 5	5.33
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-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[6-(cyclopropylmethoxy)-2-[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 170740894) is N-[6-(cyclopropylmethoxy)-2-[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-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-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[6-(cyclopropylmethoxy)-2-[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C1CCC(c2ccc(N3CCC(CN4CCC(n5cc6cc(NC(=O)c7cnn8cccnc78)c(OCC7CC7)cc6n5)CC4)CC3)cc2F)C(=O)N1.

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

The InChIKey is PZYFWEBJWXNHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44FN9O4/c41-33-19-29(4-5-30(33)31-6-7-37(51)45-39(31)52)48-16-8-25(9-17-48)22-47-14-10-28(11-15-47)50-23-27-18-35(36(20-34(27)46-50)54-24-26-2-3-26)44-40(53)32-21-43-49-13-1-12-42-38(32)49/h1,4-5,12-13,18-21,23,25-26,28,31H,2-3,6-11,14-17,22,24H2,(H,44,53)(H,45,51,52).

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

N-[6-(cyclopropylmethoxy)-2-[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 733.85 g/mol, XLogP of 5.33, 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-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 170740894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).