2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide

C43H50FN9O5 — CID 166472178

IUPAC2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide
SMILESCC(C)Oc1cc2nn(C3CCC(CN4CCC(c5ccc6c(N7CCC(=O)NC7=O)nn(C)c6c5)CC4)CC3)cc2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O
InChIInChI=1S/C43H50FN9O5/c1-25(2)58-38-22-35-29(19-32(38)41(55)45-34-5-4-15-51(42(34)56)37-21-33(37)44)24-53(47-35)30-9-6-26(7-10-30)23-50-16-12-27(13-17-50)28-8-11-31-36(20-28)49(3)48-40(31)52-18-14-39(54)46-43(52)57/h4-5,8,11,15,19-20,22,24-27,30,33,37H,6-7,9-10,12-14,16-18,21,23H2,1-3H3,(H,45,55)(H,46,54,57)/t26?,30?,33-,37+/m1/s1
InChIKeyLYDSWSOJNYVLLC-UKXHMZIESA-N
MW791.93 g/mol
LogP6.46
Rot. Bonds10

About 2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide

2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide (PubChem CID 166472178) has the molecular formula C43H50FN9O5 and a molecular weight of 791.93 g/mol. Its IUPAC name is 2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide
PubChem CID166472178
Molecular FormulaC43H50FN9O5
Molecular Weight791.93 g/mol
Exact Mass791.39
IUPAC Name2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide
SMILESCC(C)Oc1cc2nn(C3CCC(CN4CCC(c5ccc6c(N7CCC(=O)NC7=O)nn(C)c6c5)CC4)CC3)cc2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O
InChIInChI=1S/C43H50FN9O5/c1-25(2)58-38-22-35-29(19-32(38)41(55)45-34-5-4-15-51(42(34)56)37-21-33(37)44)24-53(47-35)30-9-6-26(7-10-30)23-50-16-12-27(13-17-50)28-8-11-31-36(20-28)49(3)48-40(31)52-18-14-39(54)46-43(52)57/h4-5,8,11,15,19-20,22,24-27,30,33,37H,6-7,9-10,12-14,16-18,21,23H2,1-3H3,(H,45,55)(H,46,54,57)/t26?,30?,33-,37+/m1/s1
InChIKeyLYDSWSOJNYVLLC-UKXHMZIESA-N
XLogP6.46
TPSA148.62 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500791.93
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[(3S,4R)-4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-hydroxypiperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
CID 167309110
2-[1-[2-[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl]acetyl]piperidin-4-yl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide
CID 167308702
2-cyclohexyl-N-(8-oxo-3-azoniaspiro[2.5]octa-4,6-dien-7-yl)-6-propan-2-yloxyindazole-5-carboxamide;1-[5-fluoro-6-(3-hydroxy-1-methylpiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 166472325
[1-[5-(2,6-dioxopiperidin-3-yl)-3-fluoro-2-pyridinyl]piperidin-4-yl] 4-[5-[[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamoyl]-6-propan-2-yloxyindazol-2-yl]piperidine-1-carboxylate
CID 166471924
1-[(2S)-2-fluorocyclopropyl]-3-[[2-[4-(hydroxymethyl)cyclohexyl]-6-propan-2-yloxyindazol-5-yl]methylamino]pyridin-2-one
CID 175548939
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl] 4-[5-[[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamoyl]-6-propan-2-yloxyindazol-2-yl]piperidine-1-carboxylate
CID 166471952
N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methoxyindazole-5-carboxamide
CID 172879121
N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-[(1S,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-6-propan-2-yloxyindazole-5-carboxamide
CID 169223724
N-(1-cyclopropyl-2-oxo-3-pyridinyl)-6-cyclopropyloxy-2-(4-propylcyclohexyl)indazole-5-carboxamide
CID 177065400
tert-butyl 4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]cyclohexyl]methyl]piperazine-1-carboxylate
CID 177160946
2-[4-[[4-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]piperidin-1-yl]methyl]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 172504571
methoxymethane;1-[1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166116682

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide?
The IUPAC name of 2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide (CID 166472178) is 2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide.
What is the SMILES notation for 2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide?
The canonical SMILES for 2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide is CC(C)Oc1cc2nn(C3CCC(CN4CCC(c5ccc6c(N7CCC(=O)NC7=O)nn(C)c6c5)CC4)CC3)cc2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O.
What is the InChIKey of 2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide?
The InChIKey is LYDSWSOJNYVLLC-UKXHMZIESA-N. The full InChI is InChI=1S/C43H50FN9O5/c1-25(2)58-38-22-35-29(19-32(38)41(55)45-34-5-4-15-51(42(34)56)37-21-33(37)44)24-53(47-35)30-9-6-26(7-10-30)23-50-16-12-27(13-17-50)28-8-11-31-36(20-28)49(3)48-40(31)52-18-14-39(54)46-43(52)57/h4-5,8,11,15,19-20,22,24-27,30,33,37H,6-7,9-10,12-14,16-18,21,23H2,1-3H3,(H,45,55)(H,46,54,57)/t26?,30?,33-,37+/m1/s1.
What are the key properties of 2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide?
2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide has a molecular weight of 791.93 g/mol, XLogP of 6.46, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide is sourced from PubChem (CID 166472178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).