3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-2-amine

C28H27N7O2 — CID 25222706

IUPAC3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-2-amine
SMILESCc1occc1-c1nc(N)c(OC[C@@H](N)Cc2c[nH]c3ccccc23)cc1-c1cc2c(C)[nH]nc2cn1
InChIInChI=1S/C28H27N7O2/c1-15-21-10-24(32-13-25(21)35-34-15)22-11-26(28(30)33-27(22)19-7-8-36-16(19)2)37-14-18(29)9-17-12-31-23-6-4-3-5-20(17)23/h3-8,10-13,18,31H,9,14,29H2,1-2H3,(H2,30,33)(H,34,35)/t18-/m0/s1
InChIKeyAQJWACKPYCXBCF-SFHVURJKSA-N
MW493.57 g/mol
LogP4.91
Rot. Bonds7

About 3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-2-amine

3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-2-amine (PubChem CID 25222706) has the molecular formula C28H27N7O2 and a molecular weight of 493.57 g/mol. Its IUPAC name is 3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-2-amine
PubChem CID25222706
Molecular FormulaC28H27N7O2
Molecular Weight493.57 g/mol
Exact Mass493.22
IUPAC Name3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-2-amine
SMILESCc1occc1-c1nc(N)c(OC[C@@H](N)Cc2c[nH]c3ccccc23)cc1-c1cc2c(C)[nH]nc2cn1
InChIInChI=1S/C28H27N7O2/c1-15-21-10-24(32-13-25(21)35-34-15)22-11-26(28(30)33-27(22)19-7-8-36-16(19)2)37-14-18(29)9-17-12-31-23-6-4-3-5-20(17)23/h3-8,10-13,18,31H,9,14,29H2,1-2H3,(H2,30,33)(H,34,35)/t18-/m0/s1
InChIKeyAQJWACKPYCXBCF-SFHVURJKSA-N
XLogP4.91
TPSA144.66 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 54.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-c]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-(1H-indol-3-yl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-2-amine?
The IUPAC name of 3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-2-amine (CID 25222706) is 3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-2-amine.
What is the SMILES notation for 3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-2-amine?
The canonical SMILES for 3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-2-amine is Cc1occc1-c1nc(N)c(OC[C@@H](N)Cc2c[nH]c3ccccc23)cc1-c1cc2c(C)[nH]nc2cn1.
What is the InChIKey of 3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-2-amine?
The InChIKey is AQJWACKPYCXBCF-SFHVURJKSA-N. The full InChI is InChI=1S/C28H27N7O2/c1-15-21-10-24(32-13-25(21)35-34-15)22-11-26(28(30)33-27(22)19-7-8-36-16(19)2)37-14-18(29)9-17-12-31-23-6-4-3-5-20(17)23/h3-8,10-13,18,31H,9,14,29H2,1-2H3,(H2,30,33)(H,34,35)/t18-/m0/s1.
What are the key properties of 3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-2-amine?
3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-2-amine has a molecular weight of 493.57 g/mol, XLogP of 4.91, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-2-amine is sourced from PubChem (CID 25222706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).