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

C26H25FN6O2 — CID 25190978

IUPAC3-[(2S)-2-amino-3-(3-fluorophenyl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine
SMILESCc1occc1-c1nc(N)c(OC[C@@H](N)Cc2cccc(F)c2)cc1-c1cnc2n[nH]c(C)c2c1
InChIInChI=1S/C26H25FN6O2/c1-14-21-10-17(12-30-26(21)33-32-14)22-11-23(25(29)31-24(22)20-6-7-34-15(20)2)35-13-19(28)9-16-4-3-5-18(27)8-16/h3-8,10-12,19H,9,13,28H2,1-2H3,(H2,29,31)(H,30,32,33)/t19-/m0/s1
InChIKeyNWTXFBXFLDCIEN-IBGZPJMESA-N
MW472.52 g/mol
LogP4.57
Rot. Bonds7

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

3-[(2S)-2-amino-3-(3-fluorophenyl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine (PubChem CID 25190978) has the molecular formula C26H25FN6O2 and a molecular weight of 472.52 g/mol. Its IUPAC name is 3-[(2S)-2-amino-3-(3-fluorophenyl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[(2S)-2-amino-3-(3-fluorophenyl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine
PubChem CID25190978
Molecular FormulaC26H25FN6O2
Molecular Weight472.52 g/mol
Exact Mass472.20
IUPAC Name3-[(2S)-2-amino-3-(3-fluorophenyl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine
SMILESCc1occc1-c1nc(N)c(OC[C@@H](N)Cc2cccc(F)c2)cc1-c1cnc2n[nH]c(C)c2c1
InChIInChI=1S/C26H25FN6O2/c1-14-21-10-17(12-30-26(21)33-32-14)22-11-23(25(29)31-24(22)20-6-7-34-15(20)2)35-13-19(28)9-16-4-3-5-18(27)8-16/h3-8,10-12,19H,9,13,28H2,1-2H3,(H2,29,31)(H,30,32,33)/t19-/m0/s1
InChIKeyNWTXFBXFLDCIEN-IBGZPJMESA-N
XLogP4.57
TPSA128.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[(2S)-2-amino-3-(3-fluorophenyl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-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-(3-fluorophenyl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine?
The IUPAC name of 3-[(2S)-2-amino-3-(3-fluorophenyl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine (CID 25190978) is 3-[(2S)-2-amino-3-(3-fluorophenyl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine.
What is the SMILES notation for 3-[(2S)-2-amino-3-(3-fluorophenyl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine?
The canonical SMILES for 3-[(2S)-2-amino-3-(3-fluorophenyl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine is Cc1occc1-c1nc(N)c(OC[C@@H](N)Cc2cccc(F)c2)cc1-c1cnc2n[nH]c(C)c2c1.
What is the InChIKey of 3-[(2S)-2-amino-3-(3-fluorophenyl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine?
The InChIKey is NWTXFBXFLDCIEN-IBGZPJMESA-N. The full InChI is InChI=1S/C26H25FN6O2/c1-14-21-10-17(12-30-26(21)33-32-14)22-11-23(25(29)31-24(22)20-6-7-34-15(20)2)35-13-19(28)9-16-4-3-5-18(27)8-16/h3-8,10-12,19H,9,13,28H2,1-2H3,(H2,29,31)(H,30,32,33)/t19-/m0/s1.
What are the key properties of 3-[(2S)-2-amino-3-(3-fluorophenyl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine?
3-[(2S)-2-amino-3-(3-fluorophenyl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine has a molecular weight of 472.52 g/mol, XLogP of 4.57, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-amino-3-(3-fluorophenyl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine is sourced from PubChem (CID 25190978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).