N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C26H31N7O6 — CID 118621071

IUPACN-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCC(C)N1CCn2c(CNC(=O)C3(NC(=O)c4cccn5c(=O)[nH]nc45)CCCCC3)cc(=O)c(O)c2C1=O
InChIInChI=1S/C26H31N7O6/c1-15(2)31-11-12-32-16(13-18(34)20(35)19(32)23(31)37)14-27-24(38)26(8-4-3-5-9-26)28-22(36)17-7-6-10-33-21(17)29-30-25(33)39/h6-7,10,13,15,35H,3-5,8-9,11-12,14H2,1-2H3,(H,27,38)(H,28,36)(H,30,39)
InChIKeyOAMILLVKJVVSQK-UHFFFAOYSA-N
MW537.58 g/mol
LogP0.50
Rot. Bonds6

About N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 118621071) has the molecular formula C26H31N7O6 and a molecular weight of 537.58 g/mol. Its IUPAC name is N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID118621071
Molecular FormulaC26H31N7O6
Molecular Weight537.58 g/mol
Exact Mass537.23
IUPAC NameN-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCC(C)N1CCn2c(CNC(=O)C3(NC(=O)c4cccn5c(=O)[nH]nc45)CCCCC3)cc(=O)c(O)c2C1=O
InChIInChI=1S/C26H31N7O6/c1-15(2)31-11-12-32-16(13-18(34)20(35)19(32)23(31)37)14-27-24(38)26(8-4-3-5-9-26)28-22(36)17-7-6-10-33-21(17)29-30-25(33)39/h6-7,10,13,15,35H,3-5,8-9,11-12,14H2,1-2H3,(H,27,38)(H,28,36)(H,30,39)
InChIKeyOAMILLVKJVVSQK-UHFFFAOYSA-N
XLogP0.50
TPSA170.90 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.58
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 118621071) is N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is CC(C)N1CCn2c(CNC(=O)C3(NC(=O)c4cccn5c(=O)[nH]nc45)CCCCC3)cc(=O)c(O)c2C1=O.
What is the InChIKey of N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is OAMILLVKJVVSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O6/c1-15(2)31-11-12-32-16(13-18(34)20(35)19(32)23(31)37)14-27-24(38)26(8-4-3-5-9-26)28-22(36)17-7-6-10-33-21(17)29-30-25(33)39/h6-7,10,13,15,35H,3-5,8-9,11-12,14H2,1-2H3,(H,27,38)(H,28,36)(H,30,39).
What are the key properties of N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 537.58 g/mol, XLogP of 0.50, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 118621071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).