(2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine

C28H24FN5O2 — CID 69452074

IUPAC(2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
SMILESCc1[nH]nc2cc(F)c(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccco3)cc12
InChIInChI=1S/C28H24FN5O2/c1-16-21-11-22(24(29)12-26(21)34-33-16)23-10-19(14-32-28(23)27-7-4-8-35-27)36-15-18(30)9-17-13-31-25-6-3-2-5-20(17)25/h2-8,10-14,18,31H,9,15,30H2,1H3,(H,33,34)/t18-/m0/s1
InChIKeyXSECMWUDKRRLKG-SFHVURJKSA-N
MW481.53 g/mol
LogP5.76
Rot. Bonds7

About (2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine

(2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine (PubChem CID 69452074) has the molecular formula C28H24FN5O2 and a molecular weight of 481.53 g/mol. Its IUPAC name is (2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
PubChem CID69452074
Molecular FormulaC28H24FN5O2
Molecular Weight481.53 g/mol
Exact Mass481.19
IUPAC Name(2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
SMILESCc1[nH]nc2cc(F)c(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccco3)cc12
InChIInChI=1S/C28H24FN5O2/c1-16-21-11-22(24(29)12-26(21)34-33-16)23-10-19(14-32-28(23)27-7-4-8-35-27)36-15-18(30)9-17-13-31-25-6-3-2-5-20(17)25/h2-8,10-14,18,31H,9,15,30H2,1H3,(H,33,34)/t18-/m0/s1
InChIKeyXSECMWUDKRRLKG-SFHVURJKSA-N
XLogP5.76
TPSA105.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.53
LogP ≤ 55.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-2-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-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
The IUPAC name of (2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine (CID 69452074) is (2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
The canonical SMILES for (2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine is Cc1[nH]nc2cc(F)c(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccco3)cc12.
What is the InChIKey of (2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
The InChIKey is XSECMWUDKRRLKG-SFHVURJKSA-N. The full InChI is InChI=1S/C28H24FN5O2/c1-16-21-11-22(24(29)12-26(21)34-33-16)23-10-19(14-32-28(23)27-7-4-8-35-27)36-15-18(30)9-17-13-31-25-6-3-2-5-20(17)25/h2-8,10-14,18,31H,9,15,30H2,1H3,(H,33,34)/t18-/m0/s1.
What are the key properties of (2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
(2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine has a molecular weight of 481.53 g/mol, XLogP of 5.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 69452074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).