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

C20H25N5O — CID 90412300

IUPAC2-[[6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]amino]ethanol
SMILESCN1CCC(c2cc3c(-c4cccc(NCCO)n4)ccnc3[nH]2)CC1
InChIInChI=1S/C20H25N5O/c1-25-10-6-14(7-11-25)18-13-16-15(5-8-22-20(16)24-18)17-3-2-4-19(23-17)21-9-12-26/h2-5,8,13-14,26H,6-7,9-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyRRYYSXNCESRHDH-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.84
Rot. Bonds5

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

2-[[6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]amino]ethanol (PubChem CID 90412300) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[[6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]amino]ethanol
PubChem CID90412300
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name2-[[6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]amino]ethanol
SMILESCN1CCC(c2cc3c(-c4cccc(NCCO)n4)ccnc3[nH]2)CC1
InChIInChI=1S/C20H25N5O/c1-25-10-6-14(7-11-25)18-13-16-15(5-8-22-20(16)24-18)17-3-2-4-19(23-17)21-9-12-26/h2-5,8,13-14,26H,6-7,9-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyRRYYSXNCESRHDH-UHFFFAOYSA-N
XLogP2.84
TPSA77.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]amino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]amino]ethanol (CID 90412300) is 2-[[6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]amino]ethanol is CN1CCC(c2cc3c(-c4cccc(NCCO)n4)ccnc3[nH]2)CC1.
What is the InChIKey of 2-[[6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]amino]ethanol?
The InChIKey is RRYYSXNCESRHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-25-10-6-14(7-11-25)18-13-16-15(5-8-22-20(16)24-18)17-3-2-4-19(23-17)21-9-12-26/h2-5,8,13-14,26H,6-7,9-12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-[[6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]amino]ethanol?
2-[[6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]amino]ethanol has a molecular weight of 351.45 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 90412300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).