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

C20H19N5O — CID 23647436

IUPAC(2S)-1-phenyl-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESN[C@H](COc1cncc(-c2cc3cn[nH]c3cn2)c1)Cc1ccccc1
InChIInChI=1S/C20H19N5O/c21-17(6-14-4-2-1-3-5-14)13-26-18-7-15(9-22-11-18)19-8-16-10-24-25-20(16)12-23-19/h1-5,7-12,17H,6,13,21H2,(H,24,25)/t17-/m0/s1
InChIKeyUPWMWRRIGPQATG-KRWDZBQOSA-N
MW345.41 g/mol
LogP2.97
Rot. Bonds6

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

(2S)-1-phenyl-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine (PubChem CID 23647436) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is (2S)-1-phenyl-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-phenyl-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine
PubChem CID23647436
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name(2S)-1-phenyl-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESN[C@H](COc1cncc(-c2cc3cn[nH]c3cn2)c1)Cc1ccccc1
InChIInChI=1S/C20H19N5O/c21-17(6-14-4-2-1-3-5-14)13-26-18-7-15(9-22-11-18)19-8-16-10-24-25-20(16)12-23-19/h1-5,7-12,17H,6,13,21H2,(H,24,25)/t17-/m0/s1
InChIKeyUPWMWRRIGPQATG-KRWDZBQOSA-N
XLogP2.97
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-1-phenyl-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine with MolForge

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Related Compounds

A-443654
CID 10172943
A-674563
CID 11314340
2-((4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11610553
5-{5-[(2S)-2-amino-3-(3-iodophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16733025
(1S)-2-(1H-Indol-3-YL)-1-[({5-[(E)-2-pyridin-4-ylvinyl]pyridin-3-YL}oxy)methyl]ethylamine
CID 6914613
(1S)-1-(1H-Indol-3-ylmethyl)-2-(2-pyridin-4-YL-[1,7]naphtyridin-5-yloxy)-ehylamine
CID 6914614
3-Pyridin-4-YL-2,4-dihydro-indeno(1,2-.C.) pyrazole
CID 16122642
2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
CID 44141871
3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 11327794
3-[(2S)-2-amino-3-[(5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 16040274
3-[(2S)-2-amino-3-[(5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647380
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-chloro-1H-indazole
CID 23647431

Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenyl-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The IUPAC name of (2S)-1-phenyl-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine (CID 23647436) is (2S)-1-phenyl-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine.
What is the SMILES notation for (2S)-1-phenyl-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for (2S)-1-phenyl-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine is N[C@H](COc1cncc(-c2cc3cn[nH]c3cn2)c1)Cc1ccccc1.
What is the InChIKey of (2S)-1-phenyl-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The InChIKey is UPWMWRRIGPQATG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19N5O/c21-17(6-14-4-2-1-3-5-14)13-26-18-7-15(9-22-11-18)19-8-16-10-24-25-20(16)12-23-19/h1-5,7-12,17H,6,13,21H2,(H,24,25)/t17-/m0/s1.
What are the key properties of (2S)-1-phenyl-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine?
(2S)-1-phenyl-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine has a molecular weight of 345.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenyl-3-[[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 23647436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).