2-(5-methoxy-1-methylindol-3-yl)-N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine

C24H22N4O2 — CID 22477297

IUPAC2-(5-methoxy-1-methylindol-3-yl)-N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCOc1ccc(Nc2ccnc3[nH]c(-c4cn(C)c5ccc(OC)cc45)cc23)cc1
InChIInChI=1S/C24H22N4O2/c1-28-14-20(18-12-17(30-3)8-9-23(18)28)22-13-19-21(10-11-25-24(19)27-22)26-15-4-6-16(29-2)7-5-15/h4-14H,1-3H3,(H2,25,26,27)
InChIKeyPSGCOJYPJYTLMY-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.48
Rot. Bonds5

About 2-(5-methoxy-1-methylindol-3-yl)-N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine

2-(5-methoxy-1-methylindol-3-yl)-N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 22477297) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-(5-methoxy-1-methylindol-3-yl)-N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name2-(5-methoxy-1-methylindol-3-yl)-N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID22477297
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name2-(5-methoxy-1-methylindol-3-yl)-N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCOc1ccc(Nc2ccnc3[nH]c(-c4cn(C)c5ccc(OC)cc45)cc23)cc1
InChIInChI=1S/C24H22N4O2/c1-28-14-20(18-12-17(30-3)8-9-23(18)28)22-13-19-21(10-11-25-24(19)27-22)26-15-4-6-16(29-2)7-5-15/h4-14H,1-3H3,(H2,25,26,27)
InChIKeyPSGCOJYPJYTLMY-UHFFFAOYSA-N
XLogP5.48
TPSA64.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-methoxy-1-methylindol-3-yl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 58382433
6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-2-carbaldehyde
CID 123443949
5-methoxy-1-methyl-3-(1-methyl-2-methylsulfonyl-4H-pyrrolo[2,3-d]imidazol-5-yl)indole
CID 142199899
4-(5-methoxy-1-methylindol-3-yl)-12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 58009972
5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole
CID 69300712
3-[4-(5-methoxy-1-methylindol-3-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]propan-1-ol
CID 58382067
4-(5-methoxy-1-methylindol-3-yl)-12-(oxan-4-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 58382139
1-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 87286734
N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
CID 67147745
6-methoxy-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-ol
CID 22477195
N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 67147563
4-(5-methoxy-1-methylindol-3-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 59805756

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-methylindol-3-yl)-N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 2-(5-methoxy-1-methylindol-3-yl)-N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 22477297) is 2-(5-methoxy-1-methylindol-3-yl)-N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 2-(5-methoxy-1-methylindol-3-yl)-N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 2-(5-methoxy-1-methylindol-3-yl)-N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine is COc1ccc(Nc2ccnc3[nH]c(-c4cn(C)c5ccc(OC)cc45)cc23)cc1.
What is the InChIKey of 2-(5-methoxy-1-methylindol-3-yl)-N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is PSGCOJYPJYTLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-28-14-20(18-12-17(30-3)8-9-23(18)28)22-13-19-21(10-11-25-24(19)27-22)26-15-4-6-16(29-2)7-5-15/h4-14H,1-3H3,(H2,25,26,27).
What are the key properties of 2-(5-methoxy-1-methylindol-3-yl)-N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
2-(5-methoxy-1-methylindol-3-yl)-N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 398.47 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-methylindol-3-yl)-N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 22477297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).