5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1H-indazol-6-amine

C23H22N6O — CID 23647434

IUPAC5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1H-indazol-6-amine
SMILESNc1cc2[nH]ncc2cc1-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C23H22N6O/c24-17(5-14-10-27-22-4-2-1-3-19(14)22)13-30-18-6-15(9-26-12-18)20-7-16-11-28-29-23(16)8-21(20)25/h1-4,6-12,17,27H,5,13,24-25H2,(H,28,29)/t17-/m0/s1
InChIKeyOYMSZYAYENKTBO-KRWDZBQOSA-N
MW398.47 g/mol
LogP3.64
Rot. Bonds6

About 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1H-indazol-6-amine

5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1H-indazol-6-amine (PubChem CID 23647434) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1H-indazol-6-amine.

Molecular Properties

Compound Name5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1H-indazol-6-amine
PubChem CID23647434
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1H-indazol-6-amine
SMILESNc1cc2[nH]ncc2cc1-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C23H22N6O/c24-17(5-14-10-27-22-4-2-1-3-19(14)22)13-30-18-6-15(9-26-12-18)20-7-16-11-28-29-23(16)8-21(20)25/h1-4,6-12,17,27H,5,13,24-25H2,(H,28,29)/t17-/m0/s1
InChIKeyOYMSZYAYENKTBO-KRWDZBQOSA-N
XLogP3.64
TPSA118.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1H-indazol-6-amine?
The IUPAC name of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1H-indazol-6-amine (CID 23647434) is 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1H-indazol-6-amine.
What is the SMILES notation for 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1H-indazol-6-amine?
The canonical SMILES for 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1H-indazol-6-amine is Nc1cc2[nH]ncc2cc1-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1.
What is the InChIKey of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1H-indazol-6-amine?
The InChIKey is OYMSZYAYENKTBO-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H22N6O/c24-17(5-14-10-27-22-4-2-1-3-19(14)22)13-30-18-6-15(9-26-12-18)20-7-16-11-28-29-23(16)8-21(20)25/h1-4,6-12,17,27H,5,13,24-25H2,(H,28,29)/t17-/m0/s1.
What are the key properties of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1H-indazol-6-amine?
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1H-indazol-6-amine has a molecular weight of 398.47 g/mol, XLogP of 3.64, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1H-indazol-6-amine is sourced from PubChem (CID 23647434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).