N-[6-(cyclopropylmethoxy)-2-[1-[2-[6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C39H43N9O5 — CID 174185046

About N-[6-(cyclopropylmethoxy)-2-[1-[2-[6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[6-(cyclopropylmethoxy)-2-[1-[2-[6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 174185046) has the molecular formula C39H43N9O5 and a molecular weight of 717.83 g/mol. Its IUPAC name is N-[6-(cyclopropylmethoxy)-2-[1-[2-[6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(cyclopropylmethoxy)-2-[1-[2-[6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 174185046
• Molecular Formula: C39H43N9O5
• Molecular Weight: 717.83 g/mol
• Exact Mass: 717.34
• IUPAC Name: N-[6-(cyclopropylmethoxy)-2-[1-[2-[6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C1CCC(c2ccc3c(c2)CCN(C(O)CN2CCC(n4cc5cc(NC(=O)c6cnn7cccnc67)c(OCC6CC6)cc5n4)CC2)C3)C(=O)N1
• InChI: InChI=1S/C39H43N9O5/c49-35-7-6-30(38(51)43-35)26-4-5-27-20-46(15-8-25(27)16-26)36(50)22-45-13-9-29(10-14-45)48-21-28-17-33(34(18-32(28)44-48)53-23-24-2-3-24)42-39(52)31-19-41-47-12-1-11-40-37(31)47/h1,4-5,11-12,16-19,21,24,29-30,36,50H,2-3,6-10,13-15,20,22-23H2,(H,42,52)(H,43,49,51)
• InChIKey: NKFAZHONUWQKCX-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 159.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.83
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

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-[2-[6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[6-(cyclopropylmethoxy)-2-[1-[2-[6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 174185046) is N-[6-(cyclopropylmethoxy)-2-[1-[2-[6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[6-(cyclopropylmethoxy)-2-[1-[2-[6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[6-(cyclopropylmethoxy)-2-[1-[2-[6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C1CCC(c2ccc3c(c2)CCN(C(O)CN2CCC(n4cc5cc(NC(=O)c6cnn7cccnc67)c(OCC6CC6)cc5n4)CC2)C3)C(=O)N1.

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

The InChIKey is NKFAZHONUWQKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H43N9O5/c49-35-7-6-30(38(51)43-35)26-4-5-27-20-46(15-8-25(27)16-26)36(50)22-45-13-9-29(10-14-45)48-21-28-17-33(34(18-32(28)44-48)53-23-24-2-3-24)42-39(52)31-19-41-47-12-1-11-40-37(31)47/h1,4-5,11-12,16-19,21,24,29-30,36,50H,2-3,6-10,13-15,20,22-23H2,(H,42,52)(H,43,49,51).

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

N-[6-(cyclopropylmethoxy)-2-[1-[2-[6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 717.83 g/mol, XLogP of 3.65, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(cyclopropylmethoxy)-2-[1-[2-[6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 174185046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).