2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-(2-oxo-1H-pyridin-3-yl)-6-propan-2-yloxyindazole-5-carboxamide

C38H43FN8O6 — CID 166471870

IUPAC2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-(2-oxo-1H-pyridin-3-yl)-6-propan-2-yloxyindazole-5-carboxamide
SMILESCC(C)Oc1cc2nn(C3CCN(C(=O)CC4CCN(c5ncc(C6CCC(=O)NC6=O)cc5F)CC4)CC3)cc2cc1C(=O)Nc1ccc[nH]c1=O
InChIInChI=1S/C38H43FN8O6/c1-22(2)53-32-19-31-25(17-28(32)37(51)42-30-4-3-11-40-38(30)52)21-47(44-31)26-9-14-45(15-10-26)34(49)16-23-7-12-46(13-8-23)35-29(39)18-24(20-41-35)27-5-6-33(48)43-36(27)50/h3-4,11,17-23,26-27H,5-10,12-16H2,1-2H3,(H,40,52)(H,42,51)(H,43,48,50)
InChIKeyKIVQCQDMMBGSRJ-UHFFFAOYSA-N
MW726.81 g/mol
LogP4.29
Rot. Bonds9

About 2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-(2-oxo-1H-pyridin-3-yl)-6-propan-2-yloxyindazole-5-carboxamide

2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-(2-oxo-1H-pyridin-3-yl)-6-propan-2-yloxyindazole-5-carboxamide (PubChem CID 166471870) has the molecular formula C38H43FN8O6 and a molecular weight of 726.81 g/mol. Its IUPAC name is 2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-(2-oxo-1H-pyridin-3-yl)-6-propan-2-yloxyindazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-(2-oxo-1H-pyridin-3-yl)-6-propan-2-yloxyindazole-5-carboxamide
PubChem CID166471870
Molecular FormulaC38H43FN8O6
Molecular Weight726.81 g/mol
Exact Mass726.33
IUPAC Name2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-(2-oxo-1H-pyridin-3-yl)-6-propan-2-yloxyindazole-5-carboxamide
SMILESCC(C)Oc1cc2nn(C3CCN(C(=O)CC4CCN(c5ncc(C6CCC(=O)NC6=O)cc5F)CC4)CC3)cc2cc1C(=O)Nc1ccc[nH]c1=O
InChIInChI=1S/C38H43FN8O6/c1-22(2)53-32-19-31-25(17-28(32)37(51)42-30-4-3-11-40-38(30)52)21-47(44-31)26-9-14-45(15-10-26)34(49)16-23-7-12-46(13-8-23)35-29(39)18-24(20-41-35)27-5-6-33(48)43-36(27)50/h3-4,11,17-23,26-27H,5-10,12-16H2,1-2H3,(H,40,52)(H,42,51)(H,43,48,50)
InChIKeyKIVQCQDMMBGSRJ-UHFFFAOYSA-N
XLogP4.29
TPSA171.62 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500726.81
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-(2-oxo-1H-pyridin-3-yl)-6-propan-2-yloxyindazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-(2-oxo-1H-pyridin-3-yl)-6-propan-2-yloxyindazole-5-carboxamide?
The IUPAC name of 2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-(2-oxo-1H-pyridin-3-yl)-6-propan-2-yloxyindazole-5-carboxamide (CID 166471870) is 2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-(2-oxo-1H-pyridin-3-yl)-6-propan-2-yloxyindazole-5-carboxamide.
What is the SMILES notation for 2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-(2-oxo-1H-pyridin-3-yl)-6-propan-2-yloxyindazole-5-carboxamide?
The canonical SMILES for 2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-(2-oxo-1H-pyridin-3-yl)-6-propan-2-yloxyindazole-5-carboxamide is CC(C)Oc1cc2nn(C3CCN(C(=O)CC4CCN(c5ncc(C6CCC(=O)NC6=O)cc5F)CC4)CC3)cc2cc1C(=O)Nc1ccc[nH]c1=O.
What is the InChIKey of 2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-(2-oxo-1H-pyridin-3-yl)-6-propan-2-yloxyindazole-5-carboxamide?
The InChIKey is KIVQCQDMMBGSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43FN8O6/c1-22(2)53-32-19-31-25(17-28(32)37(51)42-30-4-3-11-40-38(30)52)21-47(44-31)26-9-14-45(15-10-26)34(49)16-23-7-12-46(13-8-23)35-29(39)18-24(20-41-35)27-5-6-33(48)43-36(27)50/h3-4,11,17-23,26-27H,5-10,12-16H2,1-2H3,(H,40,52)(H,42,51)(H,43,48,50).
What are the key properties of 2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-(2-oxo-1H-pyridin-3-yl)-6-propan-2-yloxyindazole-5-carboxamide?
2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-(2-oxo-1H-pyridin-3-yl)-6-propan-2-yloxyindazole-5-carboxamide has a molecular weight of 726.81 g/mol, XLogP of 4.29, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-(2-oxo-1H-pyridin-3-yl)-6-propan-2-yloxyindazole-5-carboxamide is sourced from PubChem (CID 166471870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).