N,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine

C22H21N7O — CID 137117137

IUPACN,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine
SMILESCN(C)CCOc1cncc(-c2cnc3n[nH]c(-c4cc5cccnc5[nH]4)c3c2)c1
InChIInChI=1S/C22H21N7O/c1-29(2)6-7-30-17-8-15(11-23-13-17)16-9-18-20(27-28-22(18)25-12-16)19-10-14-4-3-5-24-21(14)26-19/h3-5,8-13H,6-7H2,1-2H3,(H,24,26)(H,25,27,28)
InChIKeyBFRGOEVPNREIMR-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.50
Rot. Bonds6

About N,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine

N,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine (PubChem CID 137117137) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine
PubChem CID137117137
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC NameN,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine
SMILESCN(C)CCOc1cncc(-c2cnc3n[nH]c(-c4cc5cccnc5[nH]4)c3c2)c1
InChIInChI=1S/C22H21N7O/c1-29(2)6-7-30-17-8-15(11-23-13-17)16-9-18-20(27-28-22(18)25-12-16)19-10-14-4-3-5-24-21(14)26-19/h3-5,8-13H,6-7H2,1-2H3,(H,24,26)(H,25,27,28)
InChIKeyBFRGOEVPNREIMR-UHFFFAOYSA-N
XLogP3.50
TPSA95.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine with MolForge

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Related Compounds

N,N-dimethyl-1-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 138627153
N,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
CID 137111969
5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 138604422
5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 138604115
2,2-dimethyl-N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137037945
2-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 138604227
5-(5-methoxy-3-pyridinyl)-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137145358
N-[[3-[2-[5-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenyl]methyl]methanesulfonamide
CID 137310754
2-[3-fluoro-5-[2-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 137039833
2-[[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 136945655
2-[[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 136946084
2-[3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenoxy]-N,N-dimethylethanamine
CID 137145258

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine (CID 137117137) is N,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine is CN(C)CCOc1cncc(-c2cnc3n[nH]c(-c4cc5cccnc5[nH]4)c3c2)c1.
What is the InChIKey of N,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine?
The InChIKey is BFRGOEVPNREIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-29(2)6-7-30-17-8-15(11-23-13-17)16-9-18-20(27-28-22(18)25-12-16)19-10-14-4-3-5-24-21(14)26-19/h3-5,8-13H,6-7H2,1-2H3,(H,24,26)(H,25,27,28).
What are the key properties of N,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine?
N,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine has a molecular weight of 399.46 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine is sourced from PubChem (CID 137117137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).