4-[4-[7-(4-ethylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]phenyl]-2-methylbutan-2-ol

C24H31N3O2 — CID 20770388

IUPAC4-[4-[7-(4-ethylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]phenyl]-2-methylbutan-2-ol
SMILESCCN1CCN(c2nc(-c3ccc(CCC(C)(C)O)cc3)cc3ccoc23)CC1
InChIInChI=1S/C24H31N3O2/c1-4-26-12-14-27(15-13-26)23-22-20(10-16-29-22)17-21(25-23)19-7-5-18(6-8-19)9-11-24(2,3)28/h5-8,10,16-17,28H,4,9,11-15H2,1-3H3
InChIKeyVHJFLAAOSYUTJL-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.34
Rot. Bonds6

About 4-[4-[7-(4-ethylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]phenyl]-2-methylbutan-2-ol

4-[4-[7-(4-ethylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]phenyl]-2-methylbutan-2-ol (PubChem CID 20770388) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-[4-[7-(4-ethylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]phenyl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[4-[7-(4-ethylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]phenyl]-2-methylbutan-2-ol
PubChem CID20770388
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name4-[4-[7-(4-ethylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]phenyl]-2-methylbutan-2-ol
SMILESCCN1CCN(c2nc(-c3ccc(CCC(C)(C)O)cc3)cc3ccoc23)CC1
InChIInChI=1S/C24H31N3O2/c1-4-26-12-14-27(15-13-26)23-22-20(10-16-29-22)17-21(25-23)19-7-5-18(6-8-19)9-11-24(2,3)28/h5-8,10,16-17,28H,4,9,11-15H2,1-3H3
InChIKeyVHJFLAAOSYUTJL-UHFFFAOYSA-N
XLogP4.34
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[7-(4-ethylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]phenyl]-2-methylbutan-2-ol?
The IUPAC name of 4-[4-[7-(4-ethylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]phenyl]-2-methylbutan-2-ol (CID 20770388) is 4-[4-[7-(4-ethylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]phenyl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[4-[7-(4-ethylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]phenyl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[4-[7-(4-ethylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]phenyl]-2-methylbutan-2-ol is CCN1CCN(c2nc(-c3ccc(CCC(C)(C)O)cc3)cc3ccoc23)CC1.
What is the InChIKey of 4-[4-[7-(4-ethylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]phenyl]-2-methylbutan-2-ol?
The InChIKey is VHJFLAAOSYUTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-4-26-12-14-27(15-13-26)23-22-20(10-16-29-22)17-21(25-23)19-7-5-18(6-8-19)9-11-24(2,3)28/h5-8,10,16-17,28H,4,9,11-15H2,1-3H3.
What are the key properties of 4-[4-[7-(4-ethylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]phenyl]-2-methylbutan-2-ol?
4-[4-[7-(4-ethylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]phenyl]-2-methylbutan-2-ol has a molecular weight of 393.53 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[7-(4-ethylpiperazin-1-yl)furo[2,3-c]pyridin-5-yl]phenyl]-2-methylbutan-2-ol is sourced from PubChem (CID 20770388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).