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

C39H46F2N8O5 — CID 164720511

IUPAC1-[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
SMILESCOc1cc(-c2cn(C)c(=O)c(C)c2C)cc(F)c1CN1CCC(N(C)C(=O)C2CCN(c3ccc4c(N5CCC(=O)NC5=O)n[nH]c4c3F)CC2)CC1
InChIInChI=1S/C39H46F2N8O5/c1-22-23(2)37(51)45(3)20-28(22)25-18-30(40)29(32(19-25)54-5)21-47-13-10-26(11-14-47)46(4)38(52)24-8-15-48(16-9-24)31-7-6-27-35(34(31)41)43-44-36(27)49-17-12-33(50)42-39(49)53/h6-7,18-20,24,26H,8-17,21H2,1-5H3,(H,43,44)(H,42,50,53)
InChIKeyQWBKWJRBMFLUCM-UHFFFAOYSA-N
MW744.84 g/mol
LogP4.62
Rot. Bonds8

About 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

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 (PubChem CID 164720511) has the molecular formula C39H46F2N8O5 and a molecular weight of 744.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID164720511
Molecular FormulaC39H46F2N8O5
Molecular Weight744.84 g/mol
Exact Mass744.36
IUPAC Name1-[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
SMILESCOc1cc(-c2cn(C)c(=O)c(C)c2C)cc(F)c1CN1CCC(N(C)C(=O)C2CCN(c3ccc4c(N5CCC(=O)NC5=O)n[nH]c4c3F)CC2)CC1
InChIInChI=1S/C39H46F2N8O5/c1-22-23(2)37(51)45(3)20-28(22)25-18-30(40)29(32(19-25)54-5)21-47-13-10-26(11-14-47)46(4)38(52)24-8-15-48(16-9-24)31-7-6-27-35(34(31)41)43-44-36(27)49-17-12-33(50)42-39(49)53/h6-7,18-20,24,26H,8-17,21H2,1-5H3,(H,43,44)(H,42,50,53)
InChIKeyQWBKWJRBMFLUCM-UHFFFAOYSA-N
XLogP4.62
TPSA136.11 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500744.84
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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-[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
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
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
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-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 164720833
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
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-[3-fluoro-4-[4-[1-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]anilino]piperidine-2,6-dione
CID 164719980
N-[1-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methylpiperidine-4-carboxamide
CID 164720698
3-[4-[4-[1-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]anilino]piperidine-2,6-dione
CID 158176327
N-[1-[[2-chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]-1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]-N-methylpiperidine-4-carboxamide;3-[4-[4-[1-[[2-chloro-6-methoxy-4-(2-methyl-1-oxoisoquinolin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione;1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]-N-[1-[[2-fluoro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;3-[4-[4-[1-[[4-(2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione
CID 165004502

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(F)c1CN1CCC(N(C)C(=O)C2CCN(c3ccc4c(N5CCC(=O)NC5=O)n[nH]c4c3F)CC2)CC1.
What is the InChIKey of 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?
The InChIKey is QWBKWJRBMFLUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H46F2N8O5/c1-22-23(2)37(51)45(3)20-28(22)25-18-30(40)29(32(19-25)54-5)21-47-13-10-26(11-14-47)46(4)38(52)24-8-15-48(16-9-24)31-7-6-27-35(34(31)41)43-44-36(27)49-17-12-33(50)42-39(49)53/h6-7,18-20,24,26H,8-17,21H2,1-5H3,(H,43,44)(H,42,50,53).
What are the key properties of 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?
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 has a molecular weight of 744.84 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164720511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).