3-[(2S)-2-amino-3-phenylpropoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine

C25H25N7O2 — CID 25221040

IUPAC3-[(2S)-2-amino-3-phenylpropoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine
SMILESCc1occc1-c1nc(N)c(OC[C@@H](N)Cc2ccccc2)cc1-c1cnc2n[nH]c(C)c2n1
InChIInChI=1S/C25H25N7O2/c1-14-22-25(32-31-14)28-12-20(29-22)19-11-21(24(27)30-23(19)18-8-9-33-15(18)2)34-13-17(26)10-16-6-4-3-5-7-16/h3-9,11-12,17H,10,13,26H2,1-2H3,(H2,27,30)(H,28,31,32)/t17-/m0/s1
InChIKeySSMMEOSYEUOMIT-KRWDZBQOSA-N
MW455.52 g/mol
LogP3.82
Rot. Bonds7

About 3-[(2S)-2-amino-3-phenylpropoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine

3-[(2S)-2-amino-3-phenylpropoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine (PubChem CID 25221040) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 3-[(2S)-2-amino-3-phenylpropoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[(2S)-2-amino-3-phenylpropoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine
PubChem CID25221040
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name3-[(2S)-2-amino-3-phenylpropoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine
SMILESCc1occc1-c1nc(N)c(OC[C@@H](N)Cc2ccccc2)cc1-c1cnc2n[nH]c(C)c2n1
InChIInChI=1S/C25H25N7O2/c1-14-22-25(32-31-14)28-12-20(29-22)19-11-21(24(27)30-23(19)18-8-9-33-15(18)2)34-13-17(26)10-16-6-4-3-5-7-16/h3-9,11-12,17H,10,13,26H2,1-2H3,(H2,27,30)(H,28,31,32)/t17-/m0/s1
InChIKeySSMMEOSYEUOMIT-KRWDZBQOSA-N
XLogP3.82
TPSA141.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[(2S)-2-amino-3-phenylpropoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine 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 3-[(2S)-2-amino-3-phenylpropoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine?
The IUPAC name of 3-[(2S)-2-amino-3-phenylpropoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine (CID 25221040) is 3-[(2S)-2-amino-3-phenylpropoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine.
What is the SMILES notation for 3-[(2S)-2-amino-3-phenylpropoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine?
The canonical SMILES for 3-[(2S)-2-amino-3-phenylpropoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine is Cc1occc1-c1nc(N)c(OC[C@@H](N)Cc2ccccc2)cc1-c1cnc2n[nH]c(C)c2n1.
What is the InChIKey of 3-[(2S)-2-amino-3-phenylpropoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine?
The InChIKey is SSMMEOSYEUOMIT-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-14-22-25(32-31-14)28-12-20(29-22)19-11-21(24(27)30-23(19)18-8-9-33-15(18)2)34-13-17(26)10-16-6-4-3-5-7-16/h3-9,11-12,17H,10,13,26H2,1-2H3,(H2,27,30)(H,28,31,32)/t17-/m0/s1.
What are the key properties of 3-[(2S)-2-amino-3-phenylpropoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine?
3-[(2S)-2-amino-3-phenylpropoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine has a molecular weight of 455.52 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-amino-3-phenylpropoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)pyridin-2-amine is sourced from PubChem (CID 25221040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).