(2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine

C21H19F2N5O — CID 45481735

IUPAC(2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESCc1[nH]nc2cnc(-c3cncc(OC[C@@H](N)Cc4c(F)cccc4F)c3)cc12
InChIInChI=1S/C21H19F2N5O/c1-12-16-7-20(26-10-21(16)28-27-12)13-5-15(9-25-8-13)29-11-14(24)6-17-18(22)3-2-4-19(17)23/h2-5,7-10,14H,6,11,24H2,1H3,(H,27,28)/t14-/m0/s1
InChIKeyUAVXYSTVJOBINZ-AWEZNQCLSA-N
MW395.41 g/mol
LogP3.56
Rot. Bonds6

About (2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine

(2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine (PubChem CID 45481735) has the molecular formula C21H19F2N5O and a molecular weight of 395.41 g/mol. Its IUPAC name is (2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine
PubChem CID45481735
Molecular FormulaC21H19F2N5O
Molecular Weight395.41 g/mol
Exact Mass395.16
IUPAC Name(2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESCc1[nH]nc2cnc(-c3cncc(OC[C@@H](N)Cc4c(F)cccc4F)c3)cc12
InChIInChI=1S/C21H19F2N5O/c1-12-16-7-20(26-10-21(16)28-27-12)13-5-15(9-25-8-13)29-11-14(24)6-17-18(22)3-2-4-19(17)23/h2-5,7-10,14H,6,11,24H2,1H3,(H,27,28)/t14-/m0/s1
InChIKeyUAVXYSTVJOBINZ-AWEZNQCLSA-N
XLogP3.56
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The IUPAC name of (2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine (CID 45481735) is (2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine.
What is the SMILES notation for (2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for (2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine is Cc1[nH]nc2cnc(-c3cncc(OC[C@@H](N)Cc4c(F)cccc4F)c3)cc12.
What is the InChIKey of (2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The InChIKey is UAVXYSTVJOBINZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H19F2N5O/c1-12-16-7-20(26-10-21(16)28-27-12)13-5-15(9-25-8-13)29-11-14(24)6-17-18(22)3-2-4-19(17)23/h2-5,7-10,14H,6,11,24H2,1H3,(H,27,28)/t14-/m0/s1.
What are the key properties of (2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine?
(2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine has a molecular weight of 395.41 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 45481735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).