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

C25H25N5O2 — CID 171512576

IUPAC[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]urea
SMILESCN1CCN(c2ccc(-c3cnc4c(-c5ccc(NC(N)=O)cc5)coc4c3)cc2)CC1
InChIInChI=1S/C25H25N5O2/c1-29-10-12-30(13-11-29)21-8-4-17(5-9-21)19-14-23-24(27-15-19)22(16-32-23)18-2-6-20(7-3-18)28-25(26)31/h2-9,14-16H,10-13H2,1H3,(H3,26,28,31)
InChIKeyUVOJVOHBYLNVCM-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.40
Rot. Bonds4

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

[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]urea (PubChem CID 171512576) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is [4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]urea.

Molecular Properties

Compound Name[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]urea
PubChem CID171512576
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]urea
SMILESCN1CCN(c2ccc(-c3cnc4c(-c5ccc(NC(N)=O)cc5)coc4c3)cc2)CC1
InChIInChI=1S/C25H25N5O2/c1-29-10-12-30(13-11-29)21-8-4-17(5-9-21)19-14-23-24(27-15-19)22(16-32-23)18-2-6-20(7-3-18)28-25(26)31/h2-9,14-16H,10-13H2,1H3,(H3,26,28,31)
InChIKeyUVOJVOHBYLNVCM-UHFFFAOYSA-N
XLogP4.40
TPSA87.63 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 ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]benzonitrile
CID 171512494
3-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]benzaldehyde
CID 171471470
[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]methanamine
CID 171471594
6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-methylsulfanylphenyl)furo[3,2-b]pyridine
CID 171471530
6-[4-(4-methylpiperazin-1-yl)phenyl]-3-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]furo[3,2-b]pyridine
CID 171471479
3-(1-methylpyrazol-3-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine
CID 171471589
2-cyclopentyl-N-[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]acetamide
CID 146274356
4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-2-propylfuro[3,2-b]pyridin-3-yl]benzamide
CID 171512541
tert-butyl 4-[4-[3-(3-tert-butylsulfanylphenyl)furo[3,2-b]pyridin-6-yl]phenyl]piperazine-1-carboxylate
CID 171471580
4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 151646717
N-[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-4-pyrrolidin-1-ylbutanamide
CID 146274455
[3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]urea
CID 171471574

Frequently Asked Questions

What is the IUPAC name of [4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]urea?
The IUPAC name of [4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]urea (CID 171512576) is [4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]urea.
What is the SMILES notation for [4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]urea?
The canonical SMILES for [4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]urea is CN1CCN(c2ccc(-c3cnc4c(-c5ccc(NC(N)=O)cc5)coc4c3)cc2)CC1.
What is the InChIKey of [4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]urea?
The InChIKey is UVOJVOHBYLNVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-29-10-12-30(13-11-29)21-8-4-17(5-9-21)19-14-23-24(27-15-19)22(16-32-23)18-2-6-20(7-3-18)28-25(26)31/h2-9,14-16H,10-13H2,1H3,(H3,26,28,31).
What are the key properties of [4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]urea?
[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]urea has a molecular weight of 427.51 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]urea is sourced from PubChem (CID 171512576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).