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

C27H26N8O — CID 137114234

IUPACN,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
SMILESCc1cn(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCCN(C)C)c6)cc45)cc23)cn1
InChIInChI=1S/C27H26N8O/c1-17-15-35(16-30-17)27-22-12-25(31-23(22)6-7-29-27)26-21-11-18(4-5-24(21)32-33-26)19-10-20(14-28-13-19)36-9-8-34(2)3/h4-7,10-16,31H,8-9H2,1-3H3,(H,32,33)
InChIKeyMWMMPDXHBNILRL-UHFFFAOYSA-N
MW478.56 g/mol
LogP4.60
Rot. Bonds7

About 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

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 (PubChem CID 137114234) has the molecular formula C27H26N8O and a molecular weight of 478.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID137114234
Molecular FormulaC27H26N8O
Molecular Weight478.56 g/mol
Exact Mass478.22
IUPAC NameN,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
SMILESCc1cn(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCCN(C)C)c6)cc45)cc23)cn1
InChIInChI=1S/C27H26N8O/c1-17-15-35(16-30-17)27-22-12-25(31-23(22)6-7-29-27)26-21-11-18(4-5-24(21)32-33-26)19-10-20(14-28-13-19)36-9-8-34(2)3/h4-7,10-16,31H,8-9H2,1-3H3,(H,32,33)
InChIKeyMWMMPDXHBNILRL-UHFFFAOYSA-N
XLogP4.60
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
2-[5-(5-ethyl-3-pyridinyl)-1H-indazol-3-yl]-4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridine
CID 145252218
3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole
CID 137114046
3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137312980
N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137312739
5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137312857
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-(3-methylbut-1-en-2-yl)-5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 145252394
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-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
CID 137116507
N,N-dimethyl-1-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 137103221

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cn(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCCN(C)C)c6)cc45)cc23)cn1.
What is the InChIKey of 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?
The InChIKey is MWMMPDXHBNILRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8O/c1-17-15-35(16-30-17)27-22-12-25(31-23(22)6-7-29-27)26-21-11-18(4-5-24(21)32-33-26)19-10-20(14-28-13-19)36-9-8-34(2)3/h4-7,10-16,31H,8-9H2,1-3H3,(H,32,33).
What are the key properties of 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?
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 has a molecular weight of 478.56 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137114234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).