N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C36H37F3N10O3 — CID 167107402

IUPACN-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C1CCN(c2cnc3c(C4CCN(CC5CCC(n6cc7cc(NC(=O)c8cccc(C(F)(F)F)n8)ncc7n6)CC5)CC4)cccn23)C(=O)N1
InChIInChI=1S/C36H37F3N10O3/c37-36(38,39)29-5-1-4-27(42-29)34(51)43-30-17-24-21-49(45-28(24)18-40-30)25-8-6-22(7-9-25)20-46-14-10-23(11-15-46)26-3-2-13-47-32(19-41-33(26)47)48-16-12-31(50)44-35(48)52/h1-5,13,17-19,21-23,25H,6-12,14-16,20H2,(H,43,51)(H,44,50,52)
InChIKeyZRRMWDAFDXDWLV-UHFFFAOYSA-N
MW714.75 g/mol
LogP5.80
Rot. Bonds7

About N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 167107402) has the molecular formula C36H37F3N10O3 and a molecular weight of 714.75 g/mol. Its IUPAC name is N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID167107402
Molecular FormulaC36H37F3N10O3
Molecular Weight714.75 g/mol
Exact Mass714.30
IUPAC NameN-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C1CCN(c2cnc3c(C4CCN(CC5CCC(n6cc7cc(NC(=O)c8cccc(C(F)(F)F)n8)ncc7n6)CC5)CC4)cccn23)C(=O)N1
InChIInChI=1S/C36H37F3N10O3/c37-36(38,39)29-5-1-4-27(42-29)34(51)43-30-17-24-21-49(45-28(24)18-40-30)25-8-6-22(7-9-25)20-46-14-10-23(11-15-46)26-3-2-13-47-32(19-41-33(26)47)48-16-12-31(50)44-35(48)52/h1-5,13,17-19,21-23,25H,6-12,14-16,20H2,(H,43,51)(H,44,50,52)
InChIKeyZRRMWDAFDXDWLV-UHFFFAOYSA-N
XLogP5.80
TPSA142.65 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.75
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Related Compounds

N-[2-[4-[[(1S,4S)-5-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167107237
N-[2-[3-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]methyl]cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167107307
N-[6-cyano-2-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)isoquinolin-8-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164568208
N-[2-(4-hydroxycyclohexyl)pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 169120185
N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163400019
N-[2-[3-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)isoquinolin-8-yl]piperidin-1-yl]methyl]cyclobutyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167156526
N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methylsulfonylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155751862
N-[2-[4-[[4-[5-fluoro-1-(6-hydroxy-2-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167156484
N-[2-[3-[[4-[5-chloro-1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclobutyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164567405
N-[2-[4-[[4-[6-chloro-1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-fluoroindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164567127
1-[7-[1-[[4-(5-aminoindazol-2-yl)cyclohexyl]methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
CID 163400257
N-[2-[4-[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155449135

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 167107402) is N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C1CCN(c2cnc3c(C4CCN(CC5CCC(n6cc7cc(NC(=O)c8cccc(C(F)(F)F)n8)ncc7n6)CC5)CC4)cccn23)C(=O)N1.
What is the InChIKey of N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is ZRRMWDAFDXDWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37F3N10O3/c37-36(38,39)29-5-1-4-27(42-29)34(51)43-30-17-24-21-49(45-28(24)18-40-30)25-8-6-22(7-9-25)20-46-14-10-23(11-15-46)26-3-2-13-47-32(19-41-33(26)47)48-16-12-31(50)44-35(48)52/h1-5,13,17-19,21-23,25H,6-12,14-16,20H2,(H,43,51)(H,44,50,52).
What are the key properties of N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 714.75 g/mol, XLogP of 5.80, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 167107402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).