(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine

C27H24N6O2 — CID 46225572

IUPAC(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
SMILESCc1[nH]nc2ncc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12
InChIInChI=1S/C27H24N6O2/c1-16-23-9-19(12-31-27(23)33-32-16)24-10-21(13-30-26(24)17-6-7-34-14-17)35-15-20(28)8-18-11-29-25-5-3-2-4-22(18)25/h2-7,9-14,20,29H,8,15,28H2,1H3,(H,31,32,33)/t20-/m0/s1
InChIKeyBJSFTYZWWXFKSH-FQEVSTJZSA-N
MW464.53 g/mol
LogP5.02
Rot. Bonds7

About (2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine

(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine (PubChem CID 46225572) has the molecular formula C27H24N6O2 and a molecular weight of 464.53 g/mol. Its IUPAC name is (2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
PubChem CID46225572
Molecular FormulaC27H24N6O2
Molecular Weight464.53 g/mol
Exact Mass464.20
IUPAC Name(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
SMILESCc1[nH]nc2ncc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12
InChIInChI=1S/C27H24N6O2/c1-16-23-9-19(12-31-27(23)33-32-16)24-10-21(13-30-26(24)17-6-7-34-14-17)35-15-20(28)8-18-11-29-25-5-3-2-4-22(18)25/h2-7,9-14,20,29H,8,15,28H2,1H3,(H,31,32,33)/t20-/m0/s1
InChIKeyBJSFTYZWWXFKSH-FQEVSTJZSA-N
XLogP5.02
TPSA118.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.53
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-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 (2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
The IUPAC name of (2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine (CID 46225572) is (2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
The canonical SMILES for (2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine is Cc1[nH]nc2ncc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12.
What is the InChIKey of (2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
The InChIKey is BJSFTYZWWXFKSH-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H24N6O2/c1-16-23-9-19(12-31-27(23)33-32-16)24-10-21(13-30-26(24)17-6-7-34-14-17)35-15-20(28)8-18-11-29-25-5-3-2-4-22(18)25/h2-7,9-14,20,29H,8,15,28H2,1H3,(H,31,32,33)/t20-/m0/s1.
What are the key properties of (2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine has a molecular weight of 464.53 g/mol, XLogP of 5.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 46225572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).