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

C23H22N6O — CID 137111969

IUPACN,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
SMILESCN(C)CCOc1cncc(-c2ccc3[nH]nc(-c4cc5cccnc5[nH]4)c3c2)c1
InChIInChI=1S/C23H22N6O/c1-29(2)8-9-30-18-10-17(13-24-14-18)15-5-6-20-19(11-15)22(28-27-20)21-12-16-4-3-7-25-23(16)26-21/h3-7,10-14H,8-9H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyRATSOBMVCOAPBA-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.11
Rot. Bonds6

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

N,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine (PubChem CID 137111969) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
PubChem CID137111969
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC NameN,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
SMILESCN(C)CCOc1cncc(-c2ccc3[nH]nc(-c4cc5cccnc5[nH]4)c3c2)c1
InChIInChI=1S/C23H22N6O/c1-29(2)8-9-30-18-10-17(13-24-14-18)15-5-6-20-19(11-15)22(28-27-20)21-12-16-4-3-7-25-23(16)26-21/h3-7,10-14H,8-9H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyRATSOBMVCOAPBA-UHFFFAOYSA-N
XLogP4.11
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-(5-methoxy-3-pyridinyl)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole
CID 137111841
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
N,N-dimethyl-2-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
CID 137111633
2-[[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 137116178
N,N-dimethyl-2-[[5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
CID 137310744
N,N-dimethyl-2-[[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
CID 137310678
2-[[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 161140829
N,N-dimethyl-2-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
CID 137310738
N,N-dimethyl-2-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
CID 137116507
N,N-dimethyl-2-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
CID 137114234
2-[[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 138603485
2-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 137111916

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine (CID 137111969) is N,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-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)-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine is CN(C)CCOc1cncc(-c2ccc3[nH]nc(-c4cc5cccnc5[nH]4)c3c2)c1.
What is the InChIKey of N,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine?
The InChIKey is RATSOBMVCOAPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-29(2)8-9-30-18-10-17(13-24-14-18)15-5-6-20-19(11-15)22(28-27-20)21-12-16-4-3-7-25-23(16)26-21/h3-7,10-14H,8-9H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of N,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine?
N,N-dimethyl-2-[[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine has a molecular weight of 398.47 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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)-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine is sourced from PubChem (CID 137111969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).