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

C24H30N6O — CID 90411211

IUPAC1-[2-[[6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one
SMILESCN1CCC(c2cc3c(-c4cccc(NCCN5CCCC5=O)n4)ccnc3[nH]2)CC1
InChIInChI=1S/C24H30N6O/c1-29-13-8-17(9-14-29)21-16-19-18(7-10-26-24(19)28-21)20-4-2-5-22(27-20)25-11-15-30-12-3-6-23(30)31/h2,4-5,7,10,16-17H,3,6,8-9,11-15H2,1H3,(H,25,27)(H,26,28)
InChIKeyBSUPEIKXZJIVQF-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.47
Rot. Bonds6

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

1-[2-[[6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one (PubChem CID 90411211) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 1-[2-[[6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one
PubChem CID90411211
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name1-[2-[[6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one
SMILESCN1CCC(c2cc3c(-c4cccc(NCCN5CCCC5=O)n4)ccnc3[nH]2)CC1
InChIInChI=1S/C24H30N6O/c1-29-13-8-17(9-14-29)21-16-19-18(7-10-26-24(19)28-21)20-4-2-5-22(27-20)25-11-15-30-12-3-6-23(30)31/h2,4-5,7,10,16-17H,3,6,8-9,11-15H2,1H3,(H,25,27)(H,26,28)
InChIKeyBSUPEIKXZJIVQF-UHFFFAOYSA-N
XLogP3.47
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-[2-(1-methylpiperidin-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-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one (CID 90411211) is 1-[2-[[6-[2-(1-methylpiperidin-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-(1-methylpiperidin-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-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one is CN1CCC(c2cc3c(-c4cccc(NCCN5CCCC5=O)n4)ccnc3[nH]2)CC1.
What is the InChIKey of 1-[2-[[6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one?
The InChIKey is BSUPEIKXZJIVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-29-13-8-17(9-14-29)21-16-19-18(7-10-26-24(19)28-21)20-4-2-5-22(27-20)25-11-15-30-12-3-6-23(30)31/h2,4-5,7,10,16-17H,3,6,8-9,11-15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 1-[2-[[6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one?
1-[2-[[6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one has a molecular weight of 418.55 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 90411211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).