N-[6-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-6-oxohexyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

C25H31N7O5 — CID 118621093

IUPACN-[6-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-6-oxohexyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESCC(C)N1CCn2c(CNC(=O)CCCCCNC(=O)c3[nH]nc4ncccc34)cc(=O)c(O)c2C1=O
InChIInChI=1S/C25H31N7O5/c1-15(2)31-11-12-32-16(13-18(33)22(35)21(32)25(31)37)14-28-19(34)8-4-3-5-9-27-24(36)20-17-7-6-10-26-23(17)30-29-20/h6-7,10,13,15,35H,3-5,8-9,11-12,14H2,1-2H3,(H,27,36)(H,28,34)(H,26,29,30)
InChIKeyNQEUARBITNIINT-UHFFFAOYSA-N
MW509.57 g/mol
LogP1.30
Rot. Bonds10

About N-[6-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-6-oxohexyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

N-[6-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-6-oxohexyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (PubChem CID 118621093) has the molecular formula C25H31N7O5 and a molecular weight of 509.57 g/mol. Its IUPAC name is N-[6-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-6-oxohexyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-6-oxohexyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
PubChem CID118621093
Molecular FormulaC25H31N7O5
Molecular Weight509.57 g/mol
Exact Mass509.24
IUPAC NameN-[6-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-6-oxohexyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESCC(C)N1CCn2c(CNC(=O)CCCCCNC(=O)c3[nH]nc4ncccc34)cc(=O)c(O)c2C1=O
InChIInChI=1S/C25H31N7O5/c1-15(2)31-11-12-32-16(13-18(33)22(35)21(32)25(31)37)14-28-19(34)8-4-3-5-9-27-24(36)20-17-7-6-10-26-23(17)30-29-20/h6-7,10,13,15,35H,3-5,8-9,11-12,14H2,1-2H3,(H,27,36)(H,28,34)(H,26,29,30)
InChIKeyNQEUARBITNIINT-UHFFFAOYSA-N
XLogP1.30
TPSA162.31 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.57
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[6-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-6-oxohexyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-6-oxohexyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The IUPAC name of N-[6-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-6-oxohexyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (CID 118621093) is N-[6-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-6-oxohexyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-6-oxohexyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-[6-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-6-oxohexyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is CC(C)N1CCn2c(CNC(=O)CCCCCNC(=O)c3[nH]nc4ncccc34)cc(=O)c(O)c2C1=O.
What is the InChIKey of N-[6-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-6-oxohexyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The InChIKey is NQEUARBITNIINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O5/c1-15(2)31-11-12-32-16(13-18(33)22(35)21(32)25(31)37)14-28-19(34)8-4-3-5-9-27-24(36)20-17-7-6-10-26-23(17)30-29-20/h6-7,10,13,15,35H,3-5,8-9,11-12,14H2,1-2H3,(H,27,36)(H,28,34)(H,26,29,30).
What are the key properties of N-[6-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-6-oxohexyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
N-[6-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-6-oxohexyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 509.57 g/mol, XLogP of 1.30, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-6-oxohexyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 118621093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).