4-[[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]amino]methyl]phenol

C25H26N8O — CID 66836509

IUPAC4-[[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]amino]methyl]phenol
SMILESOc1ccc(CNc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCNCC4)c3)c2)cc1
InChIInChI=1S/C25H26N8O/c34-21-3-1-18(2-4-21)16-30-20-14-22(31-23(15-20)32-24-17-27-7-8-28-24)19-5-6-29-25(13-19)33-11-9-26-10-12-33/h1-8,13-15,17,26,34H,9-12,16H2,(H2,28,30,31,32)
InChIKeyQCYJMDFHUYHQCV-UHFFFAOYSA-N
MW454.54 g/mol
LogP3.40
Rot. Bonds7

About 4-[[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]amino]methyl]phenol

4-[[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]amino]methyl]phenol (PubChem CID 66836509) has the molecular formula C25H26N8O and a molecular weight of 454.54 g/mol. Its IUPAC name is 4-[[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]amino]methyl]phenol
PubChem CID66836509
Molecular FormulaC25H26N8O
Molecular Weight454.54 g/mol
Exact Mass454.22
IUPAC Name4-[[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]amino]methyl]phenol
SMILESOc1ccc(CNc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCNCC4)c3)c2)cc1
InChIInChI=1S/C25H26N8O/c34-21-3-1-18(2-4-21)16-30-20-14-22(31-23(15-20)32-24-17-27-7-8-28-24)19-5-6-29-25(13-19)33-11-9-26-10-12-33/h1-8,13-15,17,26,34H,9-12,16H2,(H2,28,30,31,32)
InChIKeyQCYJMDFHUYHQCV-UHFFFAOYSA-N
XLogP3.40
TPSA111.12 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.54
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-[[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]amino]methyl]phenol 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

3-[2-Morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
CID 10405525
Phenol, 4-(2,4-diamino-6-pteridinyl)-
CID 135492341
4-(2,4-Diaminopteridin-7-yl)phenol
CID 135610084
4-(5-Hydroxy-2-methylanilino)-2-(2-pyrazinyl)-6-trifluoromethylpyrimidine
CID 22732487
4-[4-Phenyl-6-(propyl-pyridin-2-ylmethyl-amino)-pyridin-2-yl]-phenol
CID 135529495
1-[3-(4-Hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
CID 136266136
4-[3-(3-Methylanilino)-2-imidazo[1,2-a]pyrimidinyl]phenol
CID 7338267
4-[3-(Cyclohexylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol
CID 25148037
3-[[3-(2-Amino-6-methyl-4-pyrimidinyl)-2-pyridinyl]amino]phenol
CID 60155086
2-Methyl-4-[4-phenyl-6-(propyl-pyridin-2-ylmethyl-amino)-pyridin-2-yl]-phenol
CID 135987672
4-[4-(Pyridin-2-yl)pyrimidin-2-yl]phenol
CID 2767798
4-[8-(Cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenol
CID 135450042

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]amino]methyl]phenol?
The IUPAC name of 4-[[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]amino]methyl]phenol (CID 66836509) is 4-[[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]amino]methyl]phenol.
What is the SMILES notation for 4-[[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]amino]methyl]phenol?
The canonical SMILES for 4-[[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]amino]methyl]phenol is Oc1ccc(CNc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCNCC4)c3)c2)cc1.
What is the InChIKey of 4-[[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]amino]methyl]phenol?
The InChIKey is QCYJMDFHUYHQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O/c34-21-3-1-18(2-4-21)16-30-20-14-22(31-23(15-20)32-24-17-27-7-8-28-24)19-5-6-29-25(13-19)33-11-9-26-10-12-33/h1-8,13-15,17,26,34H,9-12,16H2,(H2,28,30,31,32).
What are the key properties of 4-[[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]amino]methyl]phenol?
4-[[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]amino]methyl]phenol has a molecular weight of 454.54 g/mol, XLogP of 3.40, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]amino]methyl]phenol is sourced from PubChem (CID 66836509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).