N-(1-bicyclo[1.1.1]pentanyl)-2-cyclobutyl-8-hydroxy-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide

C24H31N5O4 — CID 167335733

IUPACN-(1-bicyclo[1.1.1]pentanyl)-2-cyclobutyl-8-hydroxy-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide
SMILESO=C(NC12CC(C1)C2)c1c(O)c2nc(C3CCC3)cnc2n(CCN2CCC(O)CC2)c1=O
InChIInChI=1S/C24H31N5O4/c30-16-4-6-28(7-5-16)8-9-29-21-19(26-17(13-25-21)15-2-1-3-15)20(31)18(23(29)33)22(32)27-24-10-14(11-24)12-24/h13-16,30-31H,1-12H2,(H,27,32)
InChIKeyJGMMIQKEJLERSL-UHFFFAOYSA-N
MW453.54 g/mol
LogP1.50
Rot. Bonds6

About N-(1-bicyclo[1.1.1]pentanyl)-2-cyclobutyl-8-hydroxy-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide

N-(1-bicyclo[1.1.1]pentanyl)-2-cyclobutyl-8-hydroxy-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide (PubChem CID 167335733) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-(1-bicyclo[1.1.1]pentanyl)-2-cyclobutyl-8-hydroxy-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(1-bicyclo[1.1.1]pentanyl)-2-cyclobutyl-8-hydroxy-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide
PubChem CID167335733
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC NameN-(1-bicyclo[1.1.1]pentanyl)-2-cyclobutyl-8-hydroxy-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide
SMILESO=C(NC12CC(C1)C2)c1c(O)c2nc(C3CCC3)cnc2n(CCN2CCC(O)CC2)c1=O
InChIInChI=1S/C24H31N5O4/c30-16-4-6-28(7-5-16)8-9-29-21-19(26-17(13-25-21)15-2-1-3-15)20(31)18(23(29)33)22(32)27-24-10-14(11-24)12-24/h13-16,30-31H,1-12H2,(H,27,32)
InChIKeyJGMMIQKEJLERSL-UHFFFAOYSA-N
XLogP1.50
TPSA120.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(1-bicyclo[1.1.1]pentanyl)-2-cyclobutyl-8-hydroxy-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-6-oxopyrido[2,3-b]pyrazine-7-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-(1-bicyclo[1.1.1]pentanyl)-2-cyclobutyl-8-hydroxy-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-2-cyclobutyl-8-hydroxy-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide (CID 167335733) is N-(1-bicyclo[1.1.1]pentanyl)-2-cyclobutyl-8-hydroxy-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(1-bicyclo[1.1.1]pentanyl)-2-cyclobutyl-8-hydroxy-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(1-bicyclo[1.1.1]pentanyl)-2-cyclobutyl-8-hydroxy-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide is O=C(NC12CC(C1)C2)c1c(O)c2nc(C3CCC3)cnc2n(CCN2CCC(O)CC2)c1=O.
What is the InChIKey of N-(1-bicyclo[1.1.1]pentanyl)-2-cyclobutyl-8-hydroxy-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide?
The InChIKey is JGMMIQKEJLERSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4/c30-16-4-6-28(7-5-16)8-9-29-21-19(26-17(13-25-21)15-2-1-3-15)20(31)18(23(29)33)22(32)27-24-10-14(11-24)12-24/h13-16,30-31H,1-12H2,(H,27,32).
What are the key properties of N-(1-bicyclo[1.1.1]pentanyl)-2-cyclobutyl-8-hydroxy-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide?
N-(1-bicyclo[1.1.1]pentanyl)-2-cyclobutyl-8-hydroxy-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[1.1.1]pentanyl)-2-cyclobutyl-8-hydroxy-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 167335733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).