N-[3-[6-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-2-pyridinyl]phenyl]piperidin-4-amine

C24H26N8O — CID 155512906

IUPACN-[3-[6-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-2-pyridinyl]phenyl]piperidin-4-amine
SMILESCN1CCOc2c1cnn1c(-c3cccc(-c4cccc(NC5CCNCC5)c4)n3)nnc21
InChIInChI=1S/C24H26N8O/c1-31-12-13-33-22-21(31)15-26-32-23(29-30-24(22)32)20-7-3-6-19(28-20)16-4-2-5-18(14-16)27-17-8-10-25-11-9-17/h2-7,14-15,17,25,27H,8-13H2,1H3
InChIKeyIRQZTXAUZZKHAU-UHFFFAOYSA-N
MW442.53 g/mol
LogP2.85
Rot. Bonds4

About N-[3-[6-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-2-pyridinyl]phenyl]piperidin-4-amine

N-[3-[6-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-2-pyridinyl]phenyl]piperidin-4-amine (PubChem CID 155512906) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is N-[3-[6-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-2-pyridinyl]phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[3-[6-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-2-pyridinyl]phenyl]piperidin-4-amine
PubChem CID155512906
Molecular FormulaC24H26N8O
Molecular Weight442.53 g/mol
Exact Mass442.22
IUPAC NameN-[3-[6-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-2-pyridinyl]phenyl]piperidin-4-amine
SMILESCN1CCOc2c1cnn1c(-c3cccc(-c4cccc(NC5CCNCC5)c4)n3)nnc21
InChIInChI=1S/C24H26N8O/c1-31-12-13-33-22-21(31)15-26-32-23(29-30-24(22)32)20-7-3-6-19(28-20)16-4-2-5-18(14-16)27-17-8-10-25-11-9-17/h2-7,14-15,17,25,27H,8-13H2,1H3
InChIKeyIRQZTXAUZZKHAU-UHFFFAOYSA-N
XLogP2.85
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[3-[6-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-2-pyridinyl]phenyl]piperidin-4-amine 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

7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
6-chloro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine
CID 155526194
10-Methyl-5-(8-piperazin-1-ylquinolin-2-yl)-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene
CID 71202406
7-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(oxan-4-ylmethyl)naphthalen-1-amine
CID 123518123
Pim1-IN-1
CID 123561371
5,6-difluoro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine
CID 123944769
5-fluoro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine
CID 124005596
6-[7-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 160332084
2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(piperidin-4-ylmethyl)quinolin-8-amine
CID 71488479
2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-piperidin-4-ylquinolin-8-amine
CID 71488550
1-[2-(10-Methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-yl]piperidin-4-amine
CID 71488552
2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]quinolin-8-amine
CID 155510554

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-2-pyridinyl]phenyl]piperidin-4-amine?
The IUPAC name of N-[3-[6-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-2-pyridinyl]phenyl]piperidin-4-amine (CID 155512906) is N-[3-[6-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-2-pyridinyl]phenyl]piperidin-4-amine.
What is the SMILES notation for N-[3-[6-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-2-pyridinyl]phenyl]piperidin-4-amine?
The canonical SMILES for N-[3-[6-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-2-pyridinyl]phenyl]piperidin-4-amine is CN1CCOc2c1cnn1c(-c3cccc(-c4cccc(NC5CCNCC5)c4)n3)nnc21.
What is the InChIKey of N-[3-[6-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-2-pyridinyl]phenyl]piperidin-4-amine?
The InChIKey is IRQZTXAUZZKHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O/c1-31-12-13-33-22-21(31)15-26-32-23(29-30-24(22)32)20-7-3-6-19(28-20)16-4-2-5-18(14-16)27-17-8-10-25-11-9-17/h2-7,14-15,17,25,27H,8-13H2,1H3.
What are the key properties of N-[3-[6-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-2-pyridinyl]phenyl]piperidin-4-amine?
N-[3-[6-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-2-pyridinyl]phenyl]piperidin-4-amine has a molecular weight of 442.53 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-2-pyridinyl]phenyl]piperidin-4-amine is sourced from PubChem (CID 155512906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).