2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-(2-methylcyclohexyl)acetamide

C25H28N4O2 — CID 22477244

IUPAC2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-(2-methylcyclohexyl)acetamide
SMILESCOc1ccc2c(c1)c(-c1cc3cccnc3[nH]1)cn2CC(=O)NC1CCCCC1C
InChIInChI=1S/C25H28N4O2/c1-16-6-3-4-8-21(16)27-24(30)15-29-14-20(19-13-18(31-2)9-10-23(19)29)22-12-17-7-5-11-26-25(17)28-22/h5,7,9-14,16,21H,3-4,6,8,15H2,1-2H3,(H,26,28)(H,27,30)
InChIKeyOVMCATWJGAKILF-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.89
Rot. Bonds5

About 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-(2-methylcyclohexyl)acetamide

2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-(2-methylcyclohexyl)acetamide (PubChem CID 22477244) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-(2-methylcyclohexyl)acetamide
PubChem CID22477244
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-(2-methylcyclohexyl)acetamide
SMILESCOc1ccc2c(c1)c(-c1cc3cccnc3[nH]1)cn2CC(=O)NC1CCCCC1C
InChIInChI=1S/C25H28N4O2/c1-16-6-3-4-8-21(16)27-24(30)15-29-14-20(19-13-18(31-2)9-10-23(19)29)22-12-17-7-5-11-26-25(17)28-22/h5,7,9-14,16,21H,3-4,6,8,15H2,1-2H3,(H,26,28)(H,27,30)
InChIKeyOVMCATWJGAKILF-UHFFFAOYSA-N
XLogP4.89
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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]-1-piperidin-1-ylethanone
CID 22477443
N-(1-methoxypropan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide
CID 22477500
N-[2-(dimethylamino)ethyl]-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-methylacetamide
CID 22477228
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-(3-ethoxypropyl)-2-[5-methoxy-3-(7-methyl-1H-indol-2-yl)indol-1-yl]acetamide
CID 142197351
3-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]oxypropan-1-ol
CID 22477387
N-[(1S,2S)-2-methylcyclohexyl]-2-naphthalen-2-yloxyacetamide
CID 2517702
N-[(1S,2R)-2-methylcyclohexyl]-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354452
N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide
CID 1276988
2-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 94437071
N-(2-methylcyclohexyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 43958367

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-(2-methylcyclohexyl)acetamide (CID 22477244) is 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-(2-methylcyclohexyl)acetamide is COc1ccc2c(c1)c(-c1cc3cccnc3[nH]1)cn2CC(=O)NC1CCCCC1C.
What is the InChIKey of 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-(2-methylcyclohexyl)acetamide?
The InChIKey is OVMCATWJGAKILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-16-6-3-4-8-21(16)27-24(30)15-29-14-20(19-13-18(31-2)9-10-23(19)29)22-12-17-7-5-11-26-25(17)28-22/h5,7,9-14,16,21H,3-4,6,8,15H2,1-2H3,(H,26,28)(H,27,30).
What are the key properties of 2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-(2-methylcyclohexyl)acetamide?
2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-(2-methylcyclohexyl)acetamide has a molecular weight of 416.53 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 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]-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 22477244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).