N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide

C40H38FN9O5 — CID 146410912

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide
SMILESO=C1CCC(N2C(=O)c3ccc(NC(=O)C4CCN(c5cccc(C6CN=C7C=CC(N8CCCC8c8cccc(F)c8)=NN76)n5)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C40H38FN9O5/c41-25-5-1-4-24(20-25)30-7-3-17-48(30)35-13-12-33-42-22-32(50(33)46-35)29-6-2-8-34(44-29)47-18-15-23(16-19-47)37(52)43-26-9-10-27-28(21-26)40(55)49(39(27)54)31-11-14-36(51)45-38(31)53/h1-2,4-6,8-10,12-13,20-21,23,30-32H,3,7,11,14-19,22H2,(H,43,52)(H,45,51,53)
InChIKeyMFQZROJXTDWFCL-UHFFFAOYSA-N
MW743.80 g/mol
LogP3.95
Rot. Bonds6

About N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide

N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 146410912) has the molecular formula C40H38FN9O5 and a molecular weight of 743.80 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide
PubChem CID146410912
Molecular FormulaC40H38FN9O5
Molecular Weight743.80 g/mol
Exact Mass743.30
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide
SMILESO=C1CCC(N2C(=O)c3ccc(NC(=O)C4CCN(c5cccc(C6CN=C7C=CC(N8CCCC8c8cccc(F)c8)=NN76)n5)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C40H38FN9O5/c41-25-5-1-4-24(20-25)30-7-3-17-48(30)35-13-12-33-42-22-32(50(33)46-35)29-6-2-8-34(44-29)47-18-15-23(16-19-47)37(52)43-26-9-10-27-28(21-26)40(55)49(39(27)54)31-11-14-36(51)45-38(31)53/h1-2,4-6,8-10,12-13,20-21,23,30-32H,3,7,11,14-19,22H2,(H,43,52)(H,45,51,53)
InChIKeyMFQZROJXTDWFCL-UHFFFAOYSA-N
XLogP3.95
TPSA159.98 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.80
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide (CID 146410912) is N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide is O=C1CCC(N2C(=O)c3ccc(NC(=O)C4CCN(c5cccc(C6CN=C7C=CC(N8CCCC8c8cccc(F)c8)=NN76)n5)CC4)cc3C2=O)C(=O)N1.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is MFQZROJXTDWFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38FN9O5/c41-25-5-1-4-24(20-25)30-7-3-17-48(30)35-13-12-33-42-22-32(50(33)46-35)29-6-2-8-34(44-29)47-18-15-23(16-19-47)37(52)43-26-9-10-27-28(21-26)40(55)49(39(27)54)31-11-14-36(51)45-38(31)53/h1-2,4-6,8-10,12-13,20-21,23,30-32H,3,7,11,14-19,22H2,(H,43,52)(H,45,51,53).
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide?
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 743.80 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 146410912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).