2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-1-piperidin-1-ylethanone

C23H24N4O2 — CID 22477443

IUPAC2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-1-piperidin-1-ylethanone
SMILESCOc1ccc2c(c1)c(-c1cc3cccnc3[nH]1)cn2CC(=O)N1CCCCC1
InChIInChI=1S/C23H24N4O2/c1-29-17-7-8-21-18(13-17)19(20-12-16-6-5-9-24-23(16)25-20)14-27(21)15-22(28)26-10-3-2-4-11-26/h5-9,12-14H,2-4,10-11,15H2,1H3,(H,24,25)
InChIKeyXMXDQCRUWXHMBD-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.21
Rot. Bonds4

About 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-1-piperidin-1-ylethanone

2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 22477443) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-1-piperidin-1-ylethanone
PubChem CID22477443
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-1-piperidin-1-ylethanone
SMILESCOc1ccc2c(c1)c(-c1cc3cccnc3[nH]1)cn2CC(=O)N1CCCCC1
InChIInChI=1S/C23H24N4O2/c1-29-17-7-8-21-18(13-17)19(20-12-16-6-5-9-24-23(16)25-20)14-27(21)15-22(28)26-10-3-2-4-11-26/h5-9,12-14H,2-4,10-11,15H2,1H3,(H,24,25)
InChIKeyXMXDQCRUWXHMBD-UHFFFAOYSA-N
XLogP4.21
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]ethanone
CID 22477359
N-cyclohexyl-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide
CID 22477379
2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 22477244
1-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]ethanone
CID 20784415
N-[2-(dimethylamino)ethyl]-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-methylacetamide
CID 22477228
N-(1-methoxypropan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide
CID 22477500
N-(4-amino-2-methylbutan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide
CID 67157851
N-hexyl-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-methylacetamide
CID 67158084
N-benzyl-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]propanamide
CID 90999703
2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-propylhexanamide
CID 67157973
3-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]oxypropan-1-ol
CID 22477387
2-[5-methoxy-3-[4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
CID 91167151

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-1-piperidin-1-ylethanone (CID 22477443) is 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-1-piperidin-1-ylethanone is COc1ccc2c(c1)c(-c1cc3cccnc3[nH]1)cn2CC(=O)N1CCCCC1.
What is the InChIKey of 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is XMXDQCRUWXHMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-29-17-7-8-21-18(13-17)19(20-12-16-6-5-9-24-23(16)25-20)14-27(21)15-22(28)26-10-3-2-4-11-26/h5-9,12-14H,2-4,10-11,15H2,1H3,(H,24,25).
What are the key properties of 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-1-piperidin-1-ylethanone?
2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 388.47 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 22477443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).