[(2S)-1-(1H-indol-3-yl)-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-yl]azanium

C22H21N6O+ — CID 24916917

IUPAC[(2S)-1-(1H-indol-3-yl)-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-yl]azanium
SMILES[NH3+][C@H](COc1cncc(-c2cc3cn[nH]c3cn2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H20N6O/c23-17(5-14-9-25-20-4-2-1-3-19(14)20)13-29-18-6-15(8-24-11-18)21-7-16-10-27-28-22(16)12-26-21/h1-4,6-12,17,25H,5,13,23H2,(H,27,28)/p+1/t17-/m0/s1
InChIKeyXKFSQFMROSGGGZ-KRWDZBQOSA-O
MW385.45 g/mol
LogP2.73
Rot. Bonds6

About [(2S)-1-(1H-indol-3-yl)-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-yl]azanium

[(2S)-1-(1H-indol-3-yl)-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-yl]azanium (PubChem CID 24916917) has the molecular formula C22H21N6O+ and a molecular weight of 385.45 g/mol. Its IUPAC name is [(2S)-1-(1H-indol-3-yl)-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-1-(1H-indol-3-yl)-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-yl]azanium
PubChem CID24916917
Molecular FormulaC22H21N6O+
Molecular Weight385.45 g/mol
Exact Mass385.18
IUPAC Name[(2S)-1-(1H-indol-3-yl)-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-yl]azanium
SMILES[NH3+][C@H](COc1cncc(-c2cc3cn[nH]c3cn2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H20N6O/c23-17(5-14-9-25-20-4-2-1-3-19(14)20)13-29-18-6-15(8-24-11-18)21-7-16-10-27-28-22(16)12-26-21/h1-4,6-12,17,25H,5,13,23H2,(H,27,28)/p+1/t17-/m0/s1
InChIKeyXKFSQFMROSGGGZ-KRWDZBQOSA-O
XLogP2.73
TPSA107.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(1H-indol-3-yl)-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-yl]azanium?
The IUPAC name of [(2S)-1-(1H-indol-3-yl)-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-yl]azanium (CID 24916917) is [(2S)-1-(1H-indol-3-yl)-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-yl]azanium.
What is the SMILES notation for [(2S)-1-(1H-indol-3-yl)-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-yl]azanium?
The canonical SMILES for [(2S)-1-(1H-indol-3-yl)-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-yl]azanium is [NH3+][C@H](COc1cncc(-c2cc3cn[nH]c3cn2)c1)Cc1c[nH]c2ccccc12.
What is the InChIKey of [(2S)-1-(1H-indol-3-yl)-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-yl]azanium?
The InChIKey is XKFSQFMROSGGGZ-KRWDZBQOSA-O. The full InChI is InChI=1S/C22H20N6O/c23-17(5-14-9-25-20-4-2-1-3-19(14)20)13-29-18-6-15(8-24-11-18)21-7-16-10-27-28-22(16)12-26-21/h1-4,6-12,17,25H,5,13,23H2,(H,27,28)/p+1/t17-/m0/s1.
What are the key properties of [(2S)-1-(1H-indol-3-yl)-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-yl]azanium?
[(2S)-1-(1H-indol-3-yl)-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-yl]azanium has a molecular weight of 385.45 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(1H-indol-3-yl)-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-yl]azanium is sourced from PubChem (CID 24916917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).