2-[4-[4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide

C23H28N4O2 — CID 90411783

IUPAC2-[4-[4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccccc1-c1ccnc2[nH]c(C3CCN(CC(=O)N(C)C)CC3)cc12
InChIInChI=1S/C23H28N4O2/c1-26(2)22(28)15-27-12-9-16(10-13-27)20-14-19-17(8-11-24-23(19)25-20)18-6-4-5-7-21(18)29-3/h4-8,11,14,16H,9-10,12-13,15H2,1-3H3,(H,24,25)
InChIKeyIDGXENIAWADDLS-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.51
Rot. Bonds5

About 2-[4-[4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide

2-[4-[4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 90411783) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[4-[4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID90411783
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-[4-[4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccccc1-c1ccnc2[nH]c(C3CCN(CC(=O)N(C)C)CC3)cc12
InChIInChI=1S/C23H28N4O2/c1-26(2)22(28)15-27-12-9-16(10-13-27)20-14-19-17(8-11-24-23(19)25-20)18-6-4-5-7-21(18)29-3/h4-8,11,14,16H,9-10,12-13,15H2,1-3H3,(H,24,25)
InChIKeyIDGXENIAWADDLS-UHFFFAOYSA-N
XLogP3.51
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide (CID 90411783) is 2-[4-[4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide is COc1ccccc1-c1ccnc2[nH]c(C3CCN(CC(=O)N(C)C)CC3)cc12.
What is the InChIKey of 2-[4-[4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is IDGXENIAWADDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-26(2)22(28)15-27-12-9-16(10-13-27)20-14-19-17(8-11-24-23(19)25-20)18-6-4-5-7-21(18)29-3/h4-8,11,14,16H,9-10,12-13,15H2,1-3H3,(H,24,25).
What are the key properties of 2-[4-[4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-[4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 392.50 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 90411783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).