6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)furo[3,2-b]pyridine

C25H23N5O — CID 177377482

IUPAC6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)furo[3,2-b]pyridine
SMILESCN1CCN(c2ccc(-c3cnc4c(-c5ccnc6[nH]ccc56)coc4c3)cc2)CC1
InChIInChI=1S/C25H23N5O/c1-29-10-12-30(13-11-29)19-4-2-17(3-5-19)18-14-23-24(28-15-18)22(16-31-23)20-6-8-26-25-21(20)7-9-27-25/h2-9,14-16H,10-13H2,1H3,(H,26,27)
InChIKeyKVLSZJPFQDRDPI-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.79
Rot. Bonds3

About 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)furo[3,2-b]pyridine

6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)furo[3,2-b]pyridine (PubChem CID 177377482) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)furo[3,2-b]pyridine
PubChem CID177377482
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)furo[3,2-b]pyridine
SMILESCN1CCN(c2ccc(-c3cnc4c(-c5ccnc6[nH]ccc56)coc4c3)cc2)CC1
InChIInChI=1S/C25H23N5O/c1-29-10-12-30(13-11-29)19-4-2-17(3-5-19)18-14-23-24(28-15-18)22(16-31-23)20-6-8-26-25-21(20)7-9-27-25/h2-9,14-16H,10-13H2,1H3,(H,26,27)
InChIKeyKVLSZJPFQDRDPI-UHFFFAOYSA-N
XLogP4.79
TPSA61.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)furo[3,2-b]pyridine?
The IUPAC name of 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)furo[3,2-b]pyridine (CID 177377482) is 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)furo[3,2-b]pyridine.
What is the SMILES notation for 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)furo[3,2-b]pyridine?
The canonical SMILES for 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)furo[3,2-b]pyridine is CN1CCN(c2ccc(-c3cnc4c(-c5ccnc6[nH]ccc56)coc4c3)cc2)CC1.
What is the InChIKey of 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)furo[3,2-b]pyridine?
The InChIKey is KVLSZJPFQDRDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-29-10-12-30(13-11-29)19-4-2-17(3-5-19)18-14-23-24(28-15-18)22(16-31-23)20-6-8-26-25-21(20)7-9-27-25/h2-9,14-16H,10-13H2,1H3,(H,26,27).
What are the key properties of 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)furo[3,2-b]pyridine?
6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)furo[3,2-b]pyridine has a molecular weight of 409.49 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)furo[3,2-b]pyridine is sourced from PubChem (CID 177377482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).