4-[3-amino-6-[[(2R)-2-aminocyclohexyl]amino]pyrazolo[3,4-b]pyrazin-1-yl]phenol

C17H21N7O — CID 122198695

IUPAC4-[3-amino-6-[[(2R)-2-aminocyclohexyl]amino]pyrazolo[3,4-b]pyrazin-1-yl]phenol
SMILESNc1nn(-c2ccc(O)cc2)c2nc(NC3CCCC[C@H]3N)cnc12
InChIInChI=1S/C17H21N7O/c18-12-3-1-2-4-13(12)21-14-9-20-15-16(19)23-24(17(15)22-14)10-5-7-11(25)8-6-10/h5-9,12-13,25H,1-4,18H2,(H2,19,23)(H,21,22)/t12-,13?/m1/s1
InChIKeyUXYYEKQBTDMSNK-PZORYLMUSA-N
MW339.40 g/mol
LogP1.79
Rot. Bonds3

About 4-[3-amino-6-[[(2R)-2-aminocyclohexyl]amino]pyrazolo[3,4-b]pyrazin-1-yl]phenol

4-[3-amino-6-[[(2R)-2-aminocyclohexyl]amino]pyrazolo[3,4-b]pyrazin-1-yl]phenol (PubChem CID 122198695) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[3-amino-6-[[(2R)-2-aminocyclohexyl]amino]pyrazolo[3,4-b]pyrazin-1-yl]phenol.

Molecular Properties

Compound Name4-[3-amino-6-[[(2R)-2-aminocyclohexyl]amino]pyrazolo[3,4-b]pyrazin-1-yl]phenol
PubChem CID122198695
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name4-[3-amino-6-[[(2R)-2-aminocyclohexyl]amino]pyrazolo[3,4-b]pyrazin-1-yl]phenol
SMILESNc1nn(-c2ccc(O)cc2)c2nc(NC3CCCC[C@H]3N)cnc12
InChIInChI=1S/C17H21N7O/c18-12-3-1-2-4-13(12)21-14-9-20-15-16(19)23-24(17(15)22-14)10-5-7-11(25)8-6-10/h5-9,12-13,25H,1-4,18H2,(H2,19,23)(H,21,22)/t12-,13?/m1/s1
InChIKeyUXYYEKQBTDMSNK-PZORYLMUSA-N
XLogP1.79
TPSA127.90 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-[3-amino-6-[[(2R)-2-aminocyclohexyl]amino]pyrazolo[3,4-b]pyrazin-1-yl]phenol with MolForge

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Related Compounds

3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 86278982
trans-N-[3-(4-methoxy-phenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-cyclohexane-1,4-diamine
CID 90389602
2-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708238
3-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708239
trans-4-(4-Benzotriazol-1-yl-pyrimidin-2-ylamino)-cyclohexanol
CID 24823665
4-[(3-Phenyltriazolo[4,5-d]pyrimidin-5-yl)amino]cyclohexan-1-ol
CID 44448296
3-[6-[(4-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 44530402
5-methyl-N-[4-(methyloxy)phenyl]-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 44589729
3-(1-(2-methylpyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)phenol
CID 46893484
4-[5-[(4-Fluorophenyl)methylamino]triazolo[4,5-b]pyridin-3-yl]phenol
CID 53372414
4-[5-(Azepan-1-yl)triazolo[4,5-b]pyridin-3-yl]phenol
CID 57400282
4-[5-(Propylamino)-3H-1,2,3-triazolo[4,5-b]pyridin-3-yl]phenol
CID 57403843

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-[[(2R)-2-aminocyclohexyl]amino]pyrazolo[3,4-b]pyrazin-1-yl]phenol?
The IUPAC name of 4-[3-amino-6-[[(2R)-2-aminocyclohexyl]amino]pyrazolo[3,4-b]pyrazin-1-yl]phenol (CID 122198695) is 4-[3-amino-6-[[(2R)-2-aminocyclohexyl]amino]pyrazolo[3,4-b]pyrazin-1-yl]phenol.
What is the SMILES notation for 4-[3-amino-6-[[(2R)-2-aminocyclohexyl]amino]pyrazolo[3,4-b]pyrazin-1-yl]phenol?
The canonical SMILES for 4-[3-amino-6-[[(2R)-2-aminocyclohexyl]amino]pyrazolo[3,4-b]pyrazin-1-yl]phenol is Nc1nn(-c2ccc(O)cc2)c2nc(NC3CCCC[C@H]3N)cnc12.
What is the InChIKey of 4-[3-amino-6-[[(2R)-2-aminocyclohexyl]amino]pyrazolo[3,4-b]pyrazin-1-yl]phenol?
The InChIKey is UXYYEKQBTDMSNK-PZORYLMUSA-N. The full InChI is InChI=1S/C17H21N7O/c18-12-3-1-2-4-13(12)21-14-9-20-15-16(19)23-24(17(15)22-14)10-5-7-11(25)8-6-10/h5-9,12-13,25H,1-4,18H2,(H2,19,23)(H,21,22)/t12-,13?/m1/s1.
What are the key properties of 4-[3-amino-6-[[(2R)-2-aminocyclohexyl]amino]pyrazolo[3,4-b]pyrazin-1-yl]phenol?
4-[3-amino-6-[[(2R)-2-aminocyclohexyl]amino]pyrazolo[3,4-b]pyrazin-1-yl]phenol has a molecular weight of 339.40 g/mol, XLogP of 1.79, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-6-[[(2R)-2-aminocyclohexyl]amino]pyrazolo[3,4-b]pyrazin-1-yl]phenol is sourced from PubChem (CID 122198695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).