5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-phenyl-3-pyridinyl]-1H-indazol-3-amine

C27H25N5O — CID 11640651

IUPAC5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-phenyl-3-pyridinyl]-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc(-c3cc(OC[C@@H](N)Cc4ccccc4)cnc3-c3ccccc3)cc12
InChIInChI=1S/C27H25N5O/c28-21(13-18-7-3-1-4-8-18)17-33-22-15-23(26(30-16-22)19-9-5-2-6-10-19)20-11-12-25-24(14-20)27(29)32-31-25/h1-12,14-16,21H,13,17,28H2,(H3,29,31,32)/t21-/m0/s1
InChIKeyJWSIFPBZBWPJOF-NRFANRHFSA-N
MW435.53 g/mol
LogP4.82
Rot. Bonds7

About 5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-phenyl-3-pyridinyl]-1H-indazol-3-amine

5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-phenyl-3-pyridinyl]-1H-indazol-3-amine (PubChem CID 11640651) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is 5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-phenyl-3-pyridinyl]-1H-indazol-3-amine.

Molecular Properties

Compound Name5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-phenyl-3-pyridinyl]-1H-indazol-3-amine
PubChem CID11640651
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC Name5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-phenyl-3-pyridinyl]-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc(-c3cc(OC[C@@H](N)Cc4ccccc4)cnc3-c3ccccc3)cc12
InChIInChI=1S/C27H25N5O/c28-21(13-18-7-3-1-4-8-18)17-33-22-15-23(26(30-16-22)19-9-5-2-6-10-19)20-11-12-25-24(14-20)27(29)32-31-25/h1-12,14-16,21H,13,17,28H2,(H3,29,31,32)/t21-/m0/s1
InChIKeyJWSIFPBZBWPJOF-NRFANRHFSA-N
XLogP4.82
TPSA102.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-phenyl-3-pyridinyl]-1H-indazol-3-amine?
The IUPAC name of 5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-phenyl-3-pyridinyl]-1H-indazol-3-amine (CID 11640651) is 5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-phenyl-3-pyridinyl]-1H-indazol-3-amine.
What is the SMILES notation for 5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-phenyl-3-pyridinyl]-1H-indazol-3-amine?
The canonical SMILES for 5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-phenyl-3-pyridinyl]-1H-indazol-3-amine is Nc1n[nH]c2ccc(-c3cc(OC[C@@H](N)Cc4ccccc4)cnc3-c3ccccc3)cc12.
What is the InChIKey of 5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-phenyl-3-pyridinyl]-1H-indazol-3-amine?
The InChIKey is JWSIFPBZBWPJOF-NRFANRHFSA-N. The full InChI is InChI=1S/C27H25N5O/c28-21(13-18-7-3-1-4-8-18)17-33-22-15-23(26(30-16-22)19-9-5-2-6-10-19)20-11-12-25-24(14-20)27(29)32-31-25/h1-12,14-16,21H,13,17,28H2,(H3,29,31,32)/t21-/m0/s1.
What are the key properties of 5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-phenyl-3-pyridinyl]-1H-indazol-3-amine?
5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-phenyl-3-pyridinyl]-1H-indazol-3-amine has a molecular weight of 435.53 g/mol, XLogP of 4.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-phenyl-3-pyridinyl]-1H-indazol-3-amine is sourced from PubChem (CID 11640651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).