1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-fluoro-1H-indazol-3-yl]-1,3-diazinane-2,4-dione

C37H42FN9O5 — CID 164720331

IUPAC1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-fluoro-1H-indazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCOc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCC(C2CCN(c3ccc4c(N5CCC(=O)NC5=O)n[nH]c4c3F)CC2)CC1
InChIInChI=1S/C37H42FN9O5/c1-44-19-26(25-18-39-41-34(25)36(44)49)23-16-29(51-2)27(30(17-23)52-3)20-45-11-6-21(7-12-45)22-8-13-46(14-9-22)28-5-4-24-33(32(28)38)42-43-35(24)47-15-10-31(48)40-37(47)50/h4-5,16-19,21-22H,6-15,20H2,1-3H3,(H,39,41)(H,42,43)(H,40,48,50)
InChIKeyZOUQMNVCUYMMBV-UHFFFAOYSA-N
MW711.80 g/mol
LogP4.54
Rot. Bonds8

About 1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-fluoro-1H-indazol-3-yl]-1,3-diazinane-2,4-dione

1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-fluoro-1H-indazol-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 164720331) has the molecular formula C37H42FN9O5 and a molecular weight of 711.80 g/mol. Its IUPAC name is 1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-fluoro-1H-indazol-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-fluoro-1H-indazol-3-yl]-1,3-diazinane-2,4-dione
PubChem CID164720331
Molecular FormulaC37H42FN9O5
Molecular Weight711.80 g/mol
Exact Mass711.33
IUPAC Name1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-fluoro-1H-indazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCOc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCC(C2CCN(c3ccc4c(N5CCC(=O)NC5=O)n[nH]c4c3F)CC2)CC1
InChIInChI=1S/C37H42FN9O5/c1-44-19-26(25-18-39-41-34(25)36(44)49)23-16-29(51-2)27(30(17-23)52-3)20-45-11-6-21(7-12-45)22-8-13-46(14-9-22)28-5-4-24-33(32(28)38)42-43-35(24)47-15-10-31(48)40-37(47)50/h4-5,16-19,21-22H,6-15,20H2,1-3H3,(H,39,41)(H,42,43)(H,40,48,50)
InChIKeyZOUQMNVCUYMMBV-UHFFFAOYSA-N
XLogP4.54
TPSA153.71 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500711.80
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-fluoro-1H-indazol-3-yl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

1-[6-[4-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-fluoro-1H-indazol-3-yl]-1,3-diazinane-2,4-dione
CID 164720464
1-[6-[4-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-fluoro-1H-indazol-3-yl]-1,3-diazinane-2,4-dione
CID 164719915
N-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-fluoro-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide
CID 164720791
1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-fluoro-1H-indazol-6-yl]-N-[1-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 164720511
1-[6-[4-[[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-5-yl]methyl]piperidin-1-yl]-7-fluoro-1H-indazol-3-yl]-1,3-diazinane-2,4-dione
CID 164720333
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
1-[6-[4-[[2-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-5-yl]methyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione
CID 164720228
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
3-[4-[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]-3-fluoroanilino]piperidine-2,6-dione
CID 163661669
[1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-4-yl] 4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carboxylate
CID 164719735
(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
1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indazol-6-yl]-N-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 163505840

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-fluoro-1H-indazol-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-fluoro-1H-indazol-3-yl]-1,3-diazinane-2,4-dione (CID 164720331) is 1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-fluoro-1H-indazol-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-fluoro-1H-indazol-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-fluoro-1H-indazol-3-yl]-1,3-diazinane-2,4-dione is COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCC(C2CCN(c3ccc4c(N5CCC(=O)NC5=O)n[nH]c4c3F)CC2)CC1.
What is the InChIKey of 1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-fluoro-1H-indazol-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is ZOUQMNVCUYMMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42FN9O5/c1-44-19-26(25-18-39-41-34(25)36(44)49)23-16-29(51-2)27(30(17-23)52-3)20-45-11-6-21(7-12-45)22-8-13-46(14-9-22)28-5-4-24-33(32(28)38)42-43-35(24)47-15-10-31(48)40-37(47)50/h4-5,16-19,21-22H,6-15,20H2,1-3H3,(H,39,41)(H,42,43)(H,40,48,50).
What are the key properties of 1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-fluoro-1H-indazol-3-yl]-1,3-diazinane-2,4-dione?
1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-fluoro-1H-indazol-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 711.80 g/mol, XLogP of 4.54, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-fluoro-1H-indazol-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 164720331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).