1-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine

C22H21N3O — CID 123855828

IUPAC1-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(-c2cnc3[nH]cc(-c4ccccc4OC)c3c2)c1
InChIInChI=1S/C22H21N3O/c1-23-12-15-6-5-7-16(10-15)17-11-19-20(14-25-22(19)24-13-17)18-8-3-4-9-21(18)26-2/h3-11,13-14,23H,12H2,1-2H3,(H,24,25)
InChIKeyALTULODLDHFVQI-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.62
Rot. Bonds5

About 1-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine

1-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine (PubChem CID 123855828) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine
PubChem CID123855828
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name1-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(-c2cnc3[nH]cc(-c4ccccc4OC)c3c2)c1
InChIInChI=1S/C22H21N3O/c1-23-12-15-6-5-7-16(10-15)17-11-19-20(14-25-22(19)24-13-17)18-8-3-4-9-21(18)26-2/h3-11,13-14,23H,12H2,1-2H3,(H,24,25)
InChIKeyALTULODLDHFVQI-UHFFFAOYSA-N
XLogP4.62
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenyl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59699759
N-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;silver
CID 131739517
5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 59699789
4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one
CID 11515215
1-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-3-methylbutan-1-ol
CID 25155636
2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol
CID 59700026
N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 44554853
5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 59699885
5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide
CID 25166699
3-[3-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59700118
5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
CID 16750094
2-hydroxy-N-(3-hydroxypropyl)-2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylacetamide
CID 145491699

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine (CID 123855828) is 1-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine is CNCc1cccc(-c2cnc3[nH]cc(-c4ccccc4OC)c3c2)c1.
What is the InChIKey of 1-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine?
The InChIKey is ALTULODLDHFVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-23-12-15-6-5-7-16(10-15)17-11-19-20(14-25-22(19)24-13-17)18-8-3-4-9-21(18)26-2/h3-11,13-14,23H,12H2,1-2H3,(H,24,25).
What are the key properties of 1-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine?
1-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine has a molecular weight of 343.43 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 123855828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).