4-[3,5-dimethoxy-4-[[1-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidin-4-yl]methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one

C40H51N7O4 — CID 169241756

IUPAC4-[3,5-dimethoxy-4-[[1-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidin-4-yl]methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
SMILESC=C1CCC(Nc2ccc(C3CCN(CCN4CCC(Cc5c(OC)cc(-c6cn(C)c(=O)c7[nH]ncc67)cc5OC)CC4)CC3)cc2)C(=O)N1
InChIInChI=1S/C40H51N7O4/c1-26-5-10-35(39(48)42-26)43-31-8-6-28(7-9-31)29-13-17-47(18-14-29)20-19-46-15-11-27(12-16-46)21-32-36(50-3)22-30(23-37(32)51-4)34-25-45(2)40(49)38-33(34)24-41-44-38/h6-9,22-25,27,29,35,43H,1,5,10-21H2,2-4H3,(H,41,44)(H,42,48)
InChIKeyMBFUEEHPAGKWPP-UHFFFAOYSA-N
MW693.89 g/mol
LogP5.28
Rot. Bonds11

About 4-[3,5-dimethoxy-4-[[1-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidin-4-yl]methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one

4-[3,5-dimethoxy-4-[[1-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidin-4-yl]methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one (PubChem CID 169241756) has the molecular formula C40H51N7O4 and a molecular weight of 693.89 g/mol. Its IUPAC name is 4-[3,5-dimethoxy-4-[[1-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidin-4-yl]methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name4-[3,5-dimethoxy-4-[[1-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidin-4-yl]methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
PubChem CID169241756
Molecular FormulaC40H51N7O4
Molecular Weight693.89 g/mol
Exact Mass693.40
IUPAC Name4-[3,5-dimethoxy-4-[[1-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidin-4-yl]methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
SMILESC=C1CCC(Nc2ccc(C3CCN(CCN4CCC(Cc5c(OC)cc(-c6cn(C)c(=O)c7[nH]ncc67)cc5OC)CC4)CC3)cc2)C(=O)N1
InChIInChI=1S/C40H51N7O4/c1-26-5-10-35(39(48)42-26)43-31-8-6-28(7-9-31)29-13-17-47(18-14-29)20-19-46-15-11-27(12-16-46)21-32-36(50-3)22-30(23-37(32)51-4)34-25-45(2)40(49)38-33(34)24-41-44-38/h6-9,22-25,27,29,35,43H,1,5,10-21H2,2-4H3,(H,41,44)(H,42,48)
InChIKeyMBFUEEHPAGKWPP-UHFFFAOYSA-N
XLogP5.28
TPSA116.75 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.89
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[3,5-dimethoxy-4-[[1-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidin-4-yl]methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one with MolForge

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Related Compounds

4-[3-chloro-5-methoxy-4-[4-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazine-1-carbonyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 169241729
(3S)-3-[4-[1-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione
CID 166729949
3-[4-[1-[6-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-6-oxohexyl]piperidin-4-yl]anilino]piperidine-2,6-dione
CID 164720212
2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methylamino]-N-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 166729545
3-[4-[4-[[4-[2-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]ethyl]phenyl]methyl]piperidin-1-yl]anilino]piperidine-2,6-dione
CID 164962924
3-[4-[1-[(3aS,6aR)-2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carbonyl]piperidin-4-yl]anilino]piperidine-2,6-dione;methane
CID 165048634
3-[4-[1-[2-[5-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione
CID 166729815
3-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione
CID 164720229
3-[4-[[1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]methoxy]anilino]piperidine-2,6-dione
CID 164719833
4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[3-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperidin-1-yl]propyl]butanamide
CID 164991299
3-[3-fluoro-4-[4-[2-[1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]anilino]piperidine-2,6-dione
CID 164720512
2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methylamino]-N-[1-[6-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-6-oxohexanoyl]piperidin-4-yl]acetamide
CID 166729660

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dimethoxy-4-[[1-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidin-4-yl]methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 4-[3,5-dimethoxy-4-[[1-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidin-4-yl]methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one (CID 169241756) is 4-[3,5-dimethoxy-4-[[1-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidin-4-yl]methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 4-[3,5-dimethoxy-4-[[1-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidin-4-yl]methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 4-[3,5-dimethoxy-4-[[1-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidin-4-yl]methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one is C=C1CCC(Nc2ccc(C3CCN(CCN4CCC(Cc5c(OC)cc(-c6cn(C)c(=O)c7[nH]ncc67)cc5OC)CC4)CC3)cc2)C(=O)N1.
What is the InChIKey of 4-[3,5-dimethoxy-4-[[1-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidin-4-yl]methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?
The InChIKey is MBFUEEHPAGKWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H51N7O4/c1-26-5-10-35(39(48)42-26)43-31-8-6-28(7-9-31)29-13-17-47(18-14-29)20-19-46-15-11-27(12-16-46)21-32-36(50-3)22-30(23-37(32)51-4)34-25-45(2)40(49)38-33(34)24-41-44-38/h6-9,22-25,27,29,35,43H,1,5,10-21H2,2-4H3,(H,41,44)(H,42,48).
What are the key properties of 4-[3,5-dimethoxy-4-[[1-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidin-4-yl]methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?
4-[3,5-dimethoxy-4-[[1-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidin-4-yl]methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one has a molecular weight of 693.89 g/mol, XLogP of 5.28, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dimethoxy-4-[[1-[2-[4-[4-[(6-methylidene-2-oxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidin-4-yl]methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 169241756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).