(4-ethylpiperazin-1-yl)-[5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone

C25H25N5O2 — CID 71166575

IUPAC(4-ethylpiperazin-1-yl)-[5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2cncc(-c3cnc4[nH]cc(-c5ccccc5O)c4c3)c2)CC1
InChIInChI=1S/C25H25N5O2/c1-2-29-7-9-30(10-8-29)25(32)19-11-17(13-26-14-19)18-12-21-22(16-28-24(21)27-15-18)20-5-3-4-6-23(20)31/h3-6,11-16,31H,2,7-10H2,1H3,(H,27,28)
InChIKeyMZQSPZJJOFKYRP-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.78
Rot. Bonds4

About (4-ethylpiperazin-1-yl)-[5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone

(4-ethylpiperazin-1-yl)-[5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone (PubChem CID 71166575) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone
PubChem CID71166575
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name(4-ethylpiperazin-1-yl)-[5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2cncc(-c3cnc4[nH]cc(-c5ccccc5O)c4c3)c2)CC1
InChIInChI=1S/C25H25N5O2/c1-2-29-7-9-30(10-8-29)25(32)19-11-17(13-26-14-19)18-12-21-22(16-28-24(21)27-15-18)20-5-3-4-6-23(20)31/h3-6,11-16,31H,2,7-10H2,1H3,(H,27,28)
InChIKeyMZQSPZJJOFKYRP-UHFFFAOYSA-N
XLogP3.78
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone (CID 71166575) is (4-ethylpiperazin-1-yl)-[5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone is CCN1CCN(C(=O)c2cncc(-c3cnc4[nH]cc(-c5ccccc5O)c4c3)c2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone?
The InChIKey is MZQSPZJJOFKYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-2-29-7-9-30(10-8-29)25(32)19-11-17(13-26-14-19)18-12-21-22(16-28-24(21)27-15-18)20-5-3-4-6-23(20)31/h3-6,11-16,31H,2,7-10H2,1H3,(H,27,28).
What are the key properties of (4-ethylpiperazin-1-yl)-[5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone?
(4-ethylpiperazin-1-yl)-[5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone has a molecular weight of 427.51 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone is sourced from PubChem (CID 71166575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).