1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one

C23H28N6O — CID 90412038

IUPAC1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCNc1cccc(-c2ccnc3[nH]c(C4CCNCC4)cc23)n1
InChIInChI=1S/C23H28N6O/c30-22-5-2-13-29(22)14-12-25-21-4-1-3-19(27-21)17-8-11-26-23-18(17)15-20(28-23)16-6-9-24-10-7-16/h1,3-4,8,11,15-16,24H,2,5-7,9-10,12-14H2,(H,25,27)(H,26,28)
InChIKeyWHXJBIWHSJCFCG-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.13
Rot. Bonds6

About 1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one

1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one (PubChem CID 90412038) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one
PubChem CID90412038
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCNc1cccc(-c2ccnc3[nH]c(C4CCNCC4)cc23)n1
InChIInChI=1S/C23H28N6O/c30-22-5-2-13-29(22)14-12-25-21-4-1-3-19(27-21)17-8-11-26-23-18(17)15-20(28-23)16-6-9-24-10-7-16/h1,3-4,8,11,15-16,24H,2,5-7,9-10,12-14H2,(H,25,27)(H,26,28)
InChIKeyWHXJBIWHSJCFCG-UHFFFAOYSA-N
XLogP3.13
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one (CID 90412038) is 1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one is O=C1CCCN1CCNc1cccc(-c2ccnc3[nH]c(C4CCNCC4)cc23)n1.
What is the InChIKey of 1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one?
The InChIKey is WHXJBIWHSJCFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c30-22-5-2-13-29(22)14-12-25-21-4-1-3-19(27-21)17-8-11-26-23-18(17)15-20(28-23)16-6-9-24-10-7-16/h1,3-4,8,11,15-16,24H,2,5-7,9-10,12-14H2,(H,25,27)(H,26,28).
What are the key properties of 1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one?
1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one has a molecular weight of 404.52 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]amino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 90412038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).