4-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-7H-purin-2-yl]amino]phenol

C21H22N8O — CID 25007173

IUPAC4-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-7H-purin-2-yl]amino]phenol
SMILESNC1CCN(c2ccc(-c3nc(Nc4ccc(O)cc4)nc4nc[nH]c34)cn2)CC1
InChIInChI=1S/C21H22N8O/c22-14-7-9-29(10-8-14)17-6-1-13(11-23-17)18-19-20(25-12-24-19)28-21(27-18)26-15-2-4-16(30)5-3-15/h1-6,11-12,14,30H,7-10,22H2,(H2,24,25,26,27,28)
InChIKeyKSGOJNVZULYWIU-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.79
Rot. Bonds4

About 4-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-7H-purin-2-yl]amino]phenol

4-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-7H-purin-2-yl]amino]phenol (PubChem CID 25007173) has the molecular formula C21H22N8O and a molecular weight of 402.46 g/mol. Its IUPAC name is 4-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-7H-purin-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-7H-purin-2-yl]amino]phenol
PubChem CID25007173
Molecular FormulaC21H22N8O
Molecular Weight402.46 g/mol
Exact Mass402.19
IUPAC Name4-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-7H-purin-2-yl]amino]phenol
SMILESNC1CCN(c2ccc(-c3nc(Nc4ccc(O)cc4)nc4nc[nH]c34)cn2)CC1
InChIInChI=1S/C21H22N8O/c22-14-7-9-29(10-8-14)17-6-1-13(11-23-17)18-19-20(25-12-24-19)28-21(27-18)26-15-2-4-16(30)5-3-15/h1-6,11-12,14,30H,7-10,22H2,(H2,24,25,26,27,28)
InChIKeyKSGOJNVZULYWIU-UHFFFAOYSA-N
XLogP2.79
TPSA128.87 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-7H-purin-2-yl]amino]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

RP107
CID 448912
6-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]pyridin-3-ol
CID 9861462
3-(6-morpholino-9H-purin-2-yl)phenol
CID 16049458
3-(2-Hydroxyphenyl)-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carbonitrile
CID 44546231
4-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 135433406
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 28
CID 135434952
2-[[2-[[1-(2-Amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol
CID 22343463
2-(4-(2-(2-methoxypyridin-3-yl)-3H-imidazo[4,5-b]pyridin-6-yl)piperidin-1-yl)-N-methylethanamine
CID 45487354
meta-Topolin
CID 11557770
3-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 6538769
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 11
CID 135434951
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 33
CID 135434953

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-7H-purin-2-yl]amino]phenol?
The IUPAC name of 4-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-7H-purin-2-yl]amino]phenol (CID 25007173) is 4-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-7H-purin-2-yl]amino]phenol.
What is the SMILES notation for 4-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-7H-purin-2-yl]amino]phenol?
The canonical SMILES for 4-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-7H-purin-2-yl]amino]phenol is NC1CCN(c2ccc(-c3nc(Nc4ccc(O)cc4)nc4nc[nH]c34)cn2)CC1.
What is the InChIKey of 4-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-7H-purin-2-yl]amino]phenol?
The InChIKey is KSGOJNVZULYWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O/c22-14-7-9-29(10-8-14)17-6-1-13(11-23-17)18-19-20(25-12-24-19)28-21(27-18)26-15-2-4-16(30)5-3-15/h1-6,11-12,14,30H,7-10,22H2,(H2,24,25,26,27,28).
What are the key properties of 4-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-7H-purin-2-yl]amino]phenol?
4-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-7H-purin-2-yl]amino]phenol has a molecular weight of 402.46 g/mol, XLogP of 2.79, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-7H-purin-2-yl]amino]phenol is sourced from PubChem (CID 25007173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).