N-[1-[[2-chloro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methylpiperidine-1-carboxamide

C40H47ClN6O5 — CID 165069746

IUPACN-[1-[[2-chloro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methylpiperidine-1-carboxamide
SMILESCOc1cc(-c2cn(C)c(=O)c3c2C=NC3)cc(Cl)c1CN1CCC(N(C)C(=O)N2CCC(c3ccc(CC4CCC(=O)NC4=O)cc3)CC2)CC1
InChIInChI=1S/C40H47ClN6O5/c1-44-23-33(31-21-42-22-32(31)39(44)50)29-19-35(41)34(36(20-29)52-3)24-46-14-12-30(13-15-46)45(2)40(51)47-16-10-27(11-17-47)26-6-4-25(5-7-26)18-28-8-9-37(48)43-38(28)49/h4-7,19-21,23,27-28,30H,8-18,22,24H2,1-3H3,(H,43,48,49)
InChIKeySOHUGGJGLVEBPU-UHFFFAOYSA-N
MW727.31 g/mol
LogP5.14
Rot. Bonds8

About N-[1-[[2-chloro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methylpiperidine-1-carboxamide

N-[1-[[2-chloro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methylpiperidine-1-carboxamide (PubChem CID 165069746) has the molecular formula C40H47ClN6O5 and a molecular weight of 727.31 g/mol. Its IUPAC name is N-[1-[[2-chloro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[[2-chloro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methylpiperidine-1-carboxamide
PubChem CID165069746
Molecular FormulaC40H47ClN6O5
Molecular Weight727.31 g/mol
Exact Mass726.33
IUPAC NameN-[1-[[2-chloro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methylpiperidine-1-carboxamide
SMILESCOc1cc(-c2cn(C)c(=O)c3c2C=NC3)cc(Cl)c1CN1CCC(N(C)C(=O)N2CCC(c3ccc(CC4CCC(=O)NC4=O)cc3)CC2)CC1
InChIInChI=1S/C40H47ClN6O5/c1-44-23-33(31-21-42-22-32(31)39(44)50)29-19-35(41)34(36(20-29)52-3)24-46-14-12-30(13-15-46)45(2)40(51)47-16-10-27(11-17-47)26-6-4-25(5-7-26)18-28-8-9-37(48)43-38(28)49/h4-7,19-21,23,27-28,30H,8-18,22,24H2,1-3H3,(H,43,48,49)
InChIKeySOHUGGJGLVEBPU-UHFFFAOYSA-N
XLogP5.14
TPSA116.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.31
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[1-[[2-chloro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methylpiperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-chloro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of N-[1-[[2-chloro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methylpiperidine-1-carboxamide (CID 165069746) is N-[1-[[2-chloro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-[[2-chloro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-[[2-chloro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methylpiperidine-1-carboxamide is COc1cc(-c2cn(C)c(=O)c3c2C=NC3)cc(Cl)c1CN1CCC(N(C)C(=O)N2CCC(c3ccc(CC4CCC(=O)NC4=O)cc3)CC2)CC1.
What is the InChIKey of N-[1-[[2-chloro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methylpiperidine-1-carboxamide?
The InChIKey is SOHUGGJGLVEBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H47ClN6O5/c1-44-23-33(31-21-42-22-32(31)39(44)50)29-19-35(41)34(36(20-29)52-3)24-46-14-12-30(13-15-46)45(2)40(51)47-16-10-27(11-17-47)26-6-4-25(5-7-26)18-28-8-9-37(48)43-38(28)49/h4-7,19-21,23,27-28,30H,8-18,22,24H2,1-3H3,(H,43,48,49).
What are the key properties of N-[1-[[2-chloro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methylpiperidine-1-carboxamide?
N-[1-[[2-chloro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methylpiperidine-1-carboxamide has a molecular weight of 727.31 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-chloro-6-methoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 165069746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).