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

C25H26N6O — CID 10310117

IUPAC5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-N,N-dimethyl-1H-indazol-3-amine
SMILESCN(C)c1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc12
InChIInChI=1S/C25H26N6O/c1-31(2)25-22-11-16(7-8-24(22)29-30-25)17-10-20(14-27-12-17)32-15-19(26)9-18-13-28-23-6-4-3-5-21(18)23/h3-8,10-14,19,28H,9,15,26H2,1-2H3,(H,29,30)/t19-/m0/s1
InChIKeyPNTMGLLXKMAHJM-IBGZPJMESA-N
MW426.52 g/mol
LogP4.12
Rot. Bonds7

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

5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-N,N-dimethyl-1H-indazol-3-amine (PubChem CID 10310117) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-N,N-dimethyl-1H-indazol-3-amine.

Molecular Properties

Compound Name5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-N,N-dimethyl-1H-indazol-3-amine
PubChem CID10310117
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-N,N-dimethyl-1H-indazol-3-amine
SMILESCN(C)c1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc12
InChIInChI=1S/C25H26N6O/c1-31(2)25-22-11-16(7-8-24(22)29-30-25)17-10-20(14-27-12-17)32-15-19(26)9-18-13-28-23-6-4-3-5-21(18)23/h3-8,10-14,19,28H,9,15,26H2,1-2H3,(H,29,30)/t19-/m0/s1
InChIKeyPNTMGLLXKMAHJM-IBGZPJMESA-N
XLogP4.12
TPSA95.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.12
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-(1H-indol-3-yl)propoxy]-3-pyridinyl]-N,N-dimethyl-1H-indazol-3-amine?
The IUPAC name of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-N,N-dimethyl-1H-indazol-3-amine (CID 10310117) is 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-N,N-dimethyl-1H-indazol-3-amine.
What is the SMILES notation for 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-N,N-dimethyl-1H-indazol-3-amine?
The canonical SMILES for 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-N,N-dimethyl-1H-indazol-3-amine is CN(C)c1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc12.
What is the InChIKey of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-N,N-dimethyl-1H-indazol-3-amine?
The InChIKey is PNTMGLLXKMAHJM-IBGZPJMESA-N. The full InChI is InChI=1S/C25H26N6O/c1-31(2)25-22-11-16(7-8-24(22)29-30-25)17-10-20(14-27-12-17)32-15-19(26)9-18-13-28-23-6-4-3-5-21(18)23/h3-8,10-14,19,28H,9,15,26H2,1-2H3,(H,29,30)/t19-/m0/s1.
What are the key properties of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-N,N-dimethyl-1H-indazol-3-amine?
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-N,N-dimethyl-1H-indazol-3-amine has a molecular weight of 426.52 g/mol, XLogP of 4.12, 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-(1H-indol-3-yl)propoxy]-3-pyridinyl]-N,N-dimethyl-1H-indazol-3-amine is sourced from PubChem (CID 10310117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).