5-[5-[6-[(2S)-2-amino-2-phenylethoxy]pyrazin-2-yl]-1H-indol-3-yl]-6-fluoropyridin-2-amine

C25H21FN6O — CID 57402547

IUPAC5-[5-[6-[(2S)-2-amino-2-phenylethoxy]pyrazin-2-yl]-1H-indol-3-yl]-6-fluoropyridin-2-amine
SMILESNc1ccc(-c2c[nH]c3ccc(-c4cncc(OC[C@@H](N)c5ccccc5)n4)cc23)c(F)n1
InChIInChI=1S/C25H21FN6O/c26-25-17(7-9-23(28)32-25)19-11-30-21-8-6-16(10-18(19)21)22-12-29-13-24(31-22)33-14-20(27)15-4-2-1-3-5-15/h1-13,20,30H,14,27H2,(H2,28,32)/t20-/m1/s1
InChIKeyYGMPEFYYVAJTDF-HXUWFJFHSA-N
MW440.48 g/mol
LogP4.49
Rot. Bonds6

About 5-[5-[6-[(2S)-2-amino-2-phenylethoxy]pyrazin-2-yl]-1H-indol-3-yl]-6-fluoropyridin-2-amine

5-[5-[6-[(2S)-2-amino-2-phenylethoxy]pyrazin-2-yl]-1H-indol-3-yl]-6-fluoropyridin-2-amine (PubChem CID 57402547) has the molecular formula C25H21FN6O and a molecular weight of 440.48 g/mol. Its IUPAC name is 5-[5-[6-[(2S)-2-amino-2-phenylethoxy]pyrazin-2-yl]-1H-indol-3-yl]-6-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-[5-[6-[(2S)-2-amino-2-phenylethoxy]pyrazin-2-yl]-1H-indol-3-yl]-6-fluoropyridin-2-amine
PubChem CID57402547
Molecular FormulaC25H21FN6O
Molecular Weight440.48 g/mol
Exact Mass440.18
IUPAC Name5-[5-[6-[(2S)-2-amino-2-phenylethoxy]pyrazin-2-yl]-1H-indol-3-yl]-6-fluoropyridin-2-amine
SMILESNc1ccc(-c2c[nH]c3ccc(-c4cncc(OC[C@@H](N)c5ccccc5)n4)cc23)c(F)n1
InChIInChI=1S/C25H21FN6O/c26-25-17(7-9-23(28)32-25)19-11-30-21-8-6-16(10-18(19)21)22-12-29-13-24(31-22)33-14-20(27)15-4-2-1-3-5-15/h1-13,20,30H,14,27H2,(H2,28,32)/t20-/m1/s1
InChIKeyYGMPEFYYVAJTDF-HXUWFJFHSA-N
XLogP4.49
TPSA115.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[5-[6-[(2S)-2-amino-2-phenylethoxy]pyrazin-2-yl]-1H-indol-3-yl]-6-fluoropyridin-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 5-[5-[6-[(2S)-2-amino-2-phenylethoxy]pyrazin-2-yl]-1H-indol-3-yl]-6-fluoropyridin-2-amine?
The IUPAC name of 5-[5-[6-[(2S)-2-amino-2-phenylethoxy]pyrazin-2-yl]-1H-indol-3-yl]-6-fluoropyridin-2-amine (CID 57402547) is 5-[5-[6-[(2S)-2-amino-2-phenylethoxy]pyrazin-2-yl]-1H-indol-3-yl]-6-fluoropyridin-2-amine.
What is the SMILES notation for 5-[5-[6-[(2S)-2-amino-2-phenylethoxy]pyrazin-2-yl]-1H-indol-3-yl]-6-fluoropyridin-2-amine?
The canonical SMILES for 5-[5-[6-[(2S)-2-amino-2-phenylethoxy]pyrazin-2-yl]-1H-indol-3-yl]-6-fluoropyridin-2-amine is Nc1ccc(-c2c[nH]c3ccc(-c4cncc(OC[C@@H](N)c5ccccc5)n4)cc23)c(F)n1.
What is the InChIKey of 5-[5-[6-[(2S)-2-amino-2-phenylethoxy]pyrazin-2-yl]-1H-indol-3-yl]-6-fluoropyridin-2-amine?
The InChIKey is YGMPEFYYVAJTDF-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H21FN6O/c26-25-17(7-9-23(28)32-25)19-11-30-21-8-6-16(10-18(19)21)22-12-29-13-24(31-22)33-14-20(27)15-4-2-1-3-5-15/h1-13,20,30H,14,27H2,(H2,28,32)/t20-/m1/s1.
What are the key properties of 5-[5-[6-[(2S)-2-amino-2-phenylethoxy]pyrazin-2-yl]-1H-indol-3-yl]-6-fluoropyridin-2-amine?
5-[5-[6-[(2S)-2-amino-2-phenylethoxy]pyrazin-2-yl]-1H-indol-3-yl]-6-fluoropyridin-2-amine has a molecular weight of 440.48 g/mol, XLogP of 4.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[6-[(2S)-2-amino-2-phenylethoxy]pyrazin-2-yl]-1H-indol-3-yl]-6-fluoropyridin-2-amine is sourced from PubChem (CID 57402547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).