6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]pyridine-3-carboxamide

C32H26FN9O6 — CID 138694070

IUPAC6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]pyridine-3-carboxamide
SMILESN#Cc1cnc2c(cnn2-c2cc(NC3CC3)c(C(=O)NCC(F)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cn2)c1
InChIInChI=1S/C32H26FN9O6/c33-18(15-48-24-3-1-2-20-27(24)32(47)41(31(20)46)23-6-7-26(43)40-30(23)45)13-37-29(44)21-14-35-25(9-22(21)39-19-4-5-19)42-28-17(12-38-42)8-16(10-34)11-36-28/h1-3,8-9,11-12,14,18-19,23H,4-7,13,15H2,(H,35,39)(H,37,44)(H,40,43,45)
InChIKeyVGALZOCGJVCOEZ-UHFFFAOYSA-N
MW651.62 g/mol
LogP1.81
Rot. Bonds10

About 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]pyridine-3-carboxamide

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]pyridine-3-carboxamide (PubChem CID 138694070) has the molecular formula C32H26FN9O6 and a molecular weight of 651.62 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]pyridine-3-carboxamide
PubChem CID138694070
Molecular FormulaC32H26FN9O6
Molecular Weight651.62 g/mol
Exact Mass651.20
IUPAC Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]pyridine-3-carboxamide
SMILESN#Cc1cnc2c(cnn2-c2cc(NC3CC3)c(C(=O)NCC(F)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cn2)c1
InChIInChI=1S/C32H26FN9O6/c33-18(15-48-24-3-1-2-20-27(24)32(47)41(31(20)46)23-6-7-26(43)40-30(23)45)13-37-29(44)21-14-35-25(9-22(21)39-19-4-5-19)42-28-17(12-38-42)8-16(10-34)11-36-28/h1-3,8-9,11-12,14,18-19,23H,4-7,13,15H2,(H,35,39)(H,37,44)(H,40,43,45)
InChIKeyVGALZOCGJVCOEZ-UHFFFAOYSA-N
XLogP1.81
TPSA201.30 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.62
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]pyridine-3-carboxamide?
The IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]pyridine-3-carboxamide (CID 138694070) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]pyridine-3-carboxamide is N#Cc1cnc2c(cnn2-c2cc(NC3CC3)c(C(=O)NCC(F)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cn2)c1.
What is the InChIKey of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]pyridine-3-carboxamide?
The InChIKey is VGALZOCGJVCOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26FN9O6/c33-18(15-48-24-3-1-2-20-27(24)32(47)41(31(20)46)23-6-7-26(43)40-30(23)45)13-37-29(44)21-14-35-25(9-22(21)39-19-4-5-19)42-28-17(12-38-42)8-16(10-34)11-36-28/h1-3,8-9,11-12,14,18-19,23H,4-7,13,15H2,(H,35,39)(H,37,44)(H,40,43,45).
What are the key properties of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]pyridine-3-carboxamide?
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]pyridine-3-carboxamide has a molecular weight of 651.62 g/mol, XLogP of 1.81, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]pyridine-3-carboxamide is sourced from PubChem (CID 138694070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).