2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine

C23H23N3O — CID 71729393

IUPAC2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
SMILESCOc1ccccc1-c1cc2c(Nc3ccc(C(C)C)cc3)nccc2[nH]1
InChIInChI=1S/C23H23N3O/c1-15(2)16-8-10-17(11-9-16)25-23-19-14-21(26-20(19)12-13-24-23)18-6-4-5-7-22(18)27-3/h4-15,26H,1-3H3,(H,24,25)
InChIKeyYKEGEFRQXXKDTP-UHFFFAOYSA-N
MW357.46 g/mol
LogP6.11
Rot. Bonds5

About 2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine

2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine (PubChem CID 71729393) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
PubChem CID71729393
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
SMILESCOc1ccccc1-c1cc2c(Nc3ccc(C(C)C)cc3)nccc2[nH]1
InChIInChI=1S/C23H23N3O/c1-15(2)16-8-10-17(11-9-16)25-23-19-14-21(26-20(19)12-13-24-23)18-6-4-5-7-22(18)27-3/h4-15,26H,1-3H3,(H,24,25)
InChIKeyYKEGEFRQXXKDTP-UHFFFAOYSA-N
XLogP6.11
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Retelliptine
CID 68913
4-((2-((4-Cyanophenyl)amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile
CID 57693582
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
Meriolin 3
CID 23727981
6H-Pyrido(4,3-b)carbazole, 1-((3-aminopropyl)amino)-9-methoxy-5-methyl-, dihydrate
CID 135594
1,3-Propanediamine, N,N-diethyl-N'-(9-methoxy-5-methyl-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 149478
6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-1-((3-(dimethylamino)propyl)amino)-9-methoxy-, ethanol
CID 153726
1,3-Propanediamine, N-ethyl-N'-(9-methoxy-5-methyl-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 3068868
1,3-Propanediamine, N'-(5,11-dimethyl-9-methoxy-6H-pyrido(4,3-b)carbazol-1-yl)-N-ethyl-
CID 3068869
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of 2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine (CID 71729393) is 2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for 2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine is COc1ccccc1-c1cc2c(Nc3ccc(C(C)C)cc3)nccc2[nH]1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is YKEGEFRQXXKDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-15(2)16-8-10-17(11-9-16)25-23-19-14-21(26-20(19)12-13-24-23)18-6-4-5-7-22(18)27-3/h4-15,26H,1-3H3,(H,24,25).
What are the key properties of 2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 357.46 g/mol, XLogP of 6.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 71729393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).