N-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(6-hydroxy-2-oxopiperidin-3-yl)-6-oxopyridine-3-carboxamide

C34H41N7O9 — CID 156547086

IUPACN-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(6-hydroxy-2-oxopiperidin-3-yl)-6-oxopyridine-3-carboxamide
SMILESCOc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1COCC(=O)NCC(C)CCNC(=O)c1ccc(=O)n(C2CCC(O)NC2=O)c1
InChIInChI=1S/C34H41N7O9/c1-19(9-10-35-32(45)20-5-8-30(44)41(15-20)25-6-7-28(42)38-33(25)46)13-36-29(43)18-50-17-24-26(48-3)11-21(12-27(24)49-4)23-16-40(2)34(47)31-22(23)14-37-39-31/h5,8,11-12,14-16,19,25,28,42H,6-7,9-10,13,17-18H2,1-4H3,(H,35,45)(H,36,43)(H,37,39)(H,38,46)
InChIKeyGGNMRFIQVLUUIM-UHFFFAOYSA-N
MW691.74 g/mol
LogP0.97
Rot. Bonds14

About N-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(6-hydroxy-2-oxopiperidin-3-yl)-6-oxopyridine-3-carboxamide

N-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(6-hydroxy-2-oxopiperidin-3-yl)-6-oxopyridine-3-carboxamide (PubChem CID 156547086) has the molecular formula C34H41N7O9 and a molecular weight of 691.74 g/mol. Its IUPAC name is N-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(6-hydroxy-2-oxopiperidin-3-yl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(6-hydroxy-2-oxopiperidin-3-yl)-6-oxopyridine-3-carboxamide
PubChem CID156547086
Molecular FormulaC34H41N7O9
Molecular Weight691.74 g/mol
Exact Mass691.30
IUPAC NameN-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(6-hydroxy-2-oxopiperidin-3-yl)-6-oxopyridine-3-carboxamide
SMILESCOc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1COCC(=O)NCC(C)CCNC(=O)c1ccc(=O)n(C2CCC(O)NC2=O)c1
InChIInChI=1S/C34H41N7O9/c1-19(9-10-35-32(45)20-5-8-30(44)41(15-20)25-6-7-28(42)38-33(25)46)13-36-29(43)18-50-17-24-26(48-3)11-21(12-27(24)49-4)23-16-40(2)34(47)31-22(23)14-37-39-31/h5,8,11-12,14-16,19,25,28,42H,6-7,9-10,13,17-18H2,1-4H3,(H,35,45)(H,36,43)(H,37,39)(H,38,46)
InChIKeyGGNMRFIQVLUUIM-UHFFFAOYSA-N
XLogP0.97
TPSA207.90 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.74
LogP ≤ 50.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze N-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(6-hydroxy-2-oxopiperidin-3-yl)-6-oxopyridine-3-carboxamide with MolForge

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Related Compounds

N-[4-[[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(2,6-dioxopiperidin-3-yl)-6-oxopyridine-3-carboxamide
CID 156547089
4-[3,5-dimethoxy-4-[(propan-2-ylamino)methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 167060406
4-(3,5-dimethoxy-4-methylphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 177321527
4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]propanoylamino]ethoxy]ethyl]butanamide
CID 161429676
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
2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methoxy]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]acetamide
CID 162069952
4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[7-[4-[4-[(2,4-dioxocyclohexyl)amino]phenyl]piperidin-1-yl]-6-oxoheptyl]butanamide
CID 164991300
4-(4-ethenyl-3,5-dimethoxyphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 167379571
(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-[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 166730117
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
5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[8-[[2-[2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]-7-methyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 154671691

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(6-hydroxy-2-oxopiperidin-3-yl)-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(6-hydroxy-2-oxopiperidin-3-yl)-6-oxopyridine-3-carboxamide (CID 156547086) is N-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(6-hydroxy-2-oxopiperidin-3-yl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(6-hydroxy-2-oxopiperidin-3-yl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(6-hydroxy-2-oxopiperidin-3-yl)-6-oxopyridine-3-carboxamide is COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1COCC(=O)NCC(C)CCNC(=O)c1ccc(=O)n(C2CCC(O)NC2=O)c1.
What is the InChIKey of N-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(6-hydroxy-2-oxopiperidin-3-yl)-6-oxopyridine-3-carboxamide?
The InChIKey is GGNMRFIQVLUUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N7O9/c1-19(9-10-35-32(45)20-5-8-30(44)41(15-20)25-6-7-28(42)38-33(25)46)13-36-29(43)18-50-17-24-26(48-3)11-21(12-27(24)49-4)23-16-40(2)34(47)31-22(23)14-37-39-31/h5,8,11-12,14-16,19,25,28,42H,6-7,9-10,13,17-18H2,1-4H3,(H,35,45)(H,36,43)(H,37,39)(H,38,46).
What are the key properties of N-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(6-hydroxy-2-oxopiperidin-3-yl)-6-oxopyridine-3-carboxamide?
N-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(6-hydroxy-2-oxopiperidin-3-yl)-6-oxopyridine-3-carboxamide has a molecular weight of 691.74 g/mol, XLogP of 0.97, 14 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methoxy]acetyl]amino]-3-methylbutyl]-1-(6-hydroxy-2-oxopiperidin-3-yl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 156547086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).