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

C23H21ClN6O — CID 23647435

IUPAC5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-chloro-2H-indazol-6-amine
SMILESNc1cc2n[nH]c(Cl)c2cc1-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C23H21ClN6O/c24-23-19-7-18(20(26)8-22(19)29-30-23)14-6-16(11-27-9-14)31-12-15(25)5-13-10-28-21-4-2-1-3-17(13)21/h1-4,6-11,15,28H,5,12,25-26H2,(H,29,30)/t15-/m0/s1
InChIKeyHOFYBOPHRAHNMK-HNNXBMFYSA-N
MW432.92 g/mol
LogP4.29
Rot. Bonds6

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

5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-chloro-2H-indazol-6-amine (PubChem CID 23647435) has the molecular formula C23H21ClN6O and a molecular weight of 432.92 g/mol. Its IUPAC name is 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-chloro-2H-indazol-6-amine.

Molecular Properties

Compound Name5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-chloro-2H-indazol-6-amine
PubChem CID23647435
Molecular FormulaC23H21ClN6O
Molecular Weight432.92 g/mol
Exact Mass432.15
IUPAC Name5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-chloro-2H-indazol-6-amine
SMILESNc1cc2n[nH]c(Cl)c2cc1-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C23H21ClN6O/c24-23-19-7-18(20(26)8-22(19)29-30-23)14-6-16(11-27-9-14)31-12-15(25)5-13-10-28-21-4-2-1-3-17(13)21/h1-4,6-11,15,28H,5,12,25-26H2,(H,29,30)/t15-/m0/s1
InChIKeyHOFYBOPHRAHNMK-HNNXBMFYSA-N
XLogP4.29
TPSA118.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.92
LogP ≤ 54.29
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]-3-chloro-2H-indazol-6-amine?
The IUPAC name of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-chloro-2H-indazol-6-amine (CID 23647435) is 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-chloro-2H-indazol-6-amine.
What is the SMILES notation for 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-chloro-2H-indazol-6-amine?
The canonical SMILES for 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-chloro-2H-indazol-6-amine is Nc1cc2n[nH]c(Cl)c2cc1-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]-3-chloro-2H-indazol-6-amine?
The InChIKey is HOFYBOPHRAHNMK-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H21ClN6O/c24-23-19-7-18(20(26)8-22(19)29-30-23)14-6-16(11-27-9-14)31-12-15(25)5-13-10-28-21-4-2-1-3-17(13)21/h1-4,6-11,15,28H,5,12,25-26H2,(H,29,30)/t15-/m0/s1.
What are the key properties of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-chloro-2H-indazol-6-amine?
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-chloro-2H-indazol-6-amine has a molecular weight of 432.92 g/mol, XLogP of 4.29, 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]-3-chloro-2H-indazol-6-amine is sourced from PubChem (CID 23647435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).