2-[4-[3-[4-[[4-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-2-phenylpyrido[2,3-b]pyrazin-6-yl]piperazin-1-yl]ethanol

C38H41N11O — CID 44560732

IUPAC2-[4-[3-[4-[[4-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-2-phenylpyrido[2,3-b]pyrazin-6-yl]piperazin-1-yl]ethanol
SMILESNc1ccc(-c2n[nH]c(C3CCN(Cc4ccc(-c5nc6nc(N7CCN(CCO)CC7)ccc6nc5-c5ccccc5)cc4)CC3)n2)cn1
InChIInChI=1S/C38H41N11O/c39-32-12-10-30(24-40-32)37-44-36(45-46-37)29-14-16-48(17-15-29)25-26-6-8-28(9-7-26)35-34(27-4-2-1-3-5-27)41-31-11-13-33(42-38(31)43-35)49-20-18-47(19-21-49)22-23-50/h1-13,24,29,50H,14-23,25H2,(H2,39,40)(H,44,45,46)
InChIKeyOWUIQMLTTIDFOA-UHFFFAOYSA-N
MW667.82 g/mol
LogP4.61
Rot. Bonds9

About 2-[4-[3-[4-[[4-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-2-phenylpyrido[2,3-b]pyrazin-6-yl]piperazin-1-yl]ethanol

2-[4-[3-[4-[[4-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-2-phenylpyrido[2,3-b]pyrazin-6-yl]piperazin-1-yl]ethanol (PubChem CID 44560732) has the molecular formula C38H41N11O and a molecular weight of 667.82 g/mol. Its IUPAC name is 2-[4-[3-[4-[[4-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-2-phenylpyrido[2,3-b]pyrazin-6-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-[4-[[4-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-2-phenylpyrido[2,3-b]pyrazin-6-yl]piperazin-1-yl]ethanol
PubChem CID44560732
Molecular FormulaC38H41N11O
Molecular Weight667.82 g/mol
Exact Mass667.35
IUPAC Name2-[4-[3-[4-[[4-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-2-phenylpyrido[2,3-b]pyrazin-6-yl]piperazin-1-yl]ethanol
SMILESNc1ccc(-c2n[nH]c(C3CCN(Cc4ccc(-c5nc6nc(N7CCN(CCO)CC7)ccc6nc5-c5ccccc5)cc4)CC3)n2)cn1
InChIInChI=1S/C38H41N11O/c39-32-12-10-30(24-40-32)37-44-36(45-46-37)29-14-16-48(17-15-29)25-26-6-8-28(9-7-26)35-34(27-4-2-1-3-5-27)41-31-11-13-33(42-38(31)43-35)49-20-18-47(19-21-49)22-23-50/h1-13,24,29,50H,14-23,25H2,(H2,39,40)(H,44,45,46)
InChIKeyOWUIQMLTTIDFOA-UHFFFAOYSA-N
XLogP4.61
TPSA149.10 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.82
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-[4-[3-[4-[[4-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-2-phenylpyrido[2,3-b]pyrazin-6-yl]piperazin-1-yl]ethanol 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 2-[4-[3-[4-[[4-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-2-phenylpyrido[2,3-b]pyrazin-6-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-[4-[[4-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-2-phenylpyrido[2,3-b]pyrazin-6-yl]piperazin-1-yl]ethanol (CID 44560732) is 2-[4-[3-[4-[[4-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-2-phenylpyrido[2,3-b]pyrazin-6-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-[4-[[4-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-2-phenylpyrido[2,3-b]pyrazin-6-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-[4-[[4-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-2-phenylpyrido[2,3-b]pyrazin-6-yl]piperazin-1-yl]ethanol is Nc1ccc(-c2n[nH]c(C3CCN(Cc4ccc(-c5nc6nc(N7CCN(CCO)CC7)ccc6nc5-c5ccccc5)cc4)CC3)n2)cn1.
What is the InChIKey of 2-[4-[3-[4-[[4-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-2-phenylpyrido[2,3-b]pyrazin-6-yl]piperazin-1-yl]ethanol?
The InChIKey is OWUIQMLTTIDFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41N11O/c39-32-12-10-30(24-40-32)37-44-36(45-46-37)29-14-16-48(17-15-29)25-26-6-8-28(9-7-26)35-34(27-4-2-1-3-5-27)41-31-11-13-33(42-38(31)43-35)49-20-18-47(19-21-49)22-23-50/h1-13,24,29,50H,14-23,25H2,(H2,39,40)(H,44,45,46).
What are the key properties of 2-[4-[3-[4-[[4-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-2-phenylpyrido[2,3-b]pyrazin-6-yl]piperazin-1-yl]ethanol?
2-[4-[3-[4-[[4-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-2-phenylpyrido[2,3-b]pyrazin-6-yl]piperazin-1-yl]ethanol has a molecular weight of 667.82 g/mol, XLogP of 4.61, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-[[4-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-2-phenylpyrido[2,3-b]pyrazin-6-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 44560732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).