1-[4-[4-[7-amino-2-(3-hydroxyphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone

C23H23N5O3 — CID 66759532

IUPAC1-[4-[4-[7-amino-2-(3-hydroxyphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(O)c5)cc34)cn2)CC1
InChIInChI=1S/C23H23N5O3/c1-14(29)27-7-5-17(6-8-27)28-13-16(11-26-28)20-12-25-23(24)22-19(20)10-21(31-22)15-3-2-4-18(30)9-15/h2-4,9-13,17,30H,5-8H2,1H3,(H2,24,25)
InChIKeyYYTVWIMHEXZBKS-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.83
Rot. Bonds3

About 1-[4-[4-[7-amino-2-(3-hydroxyphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone

1-[4-[4-[7-amino-2-(3-hydroxyphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 66759532) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 1-[4-[4-[7-amino-2-(3-hydroxyphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[7-amino-2-(3-hydroxyphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID66759532
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name1-[4-[4-[7-amino-2-(3-hydroxyphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(O)c5)cc34)cn2)CC1
InChIInChI=1S/C23H23N5O3/c1-14(29)27-7-5-17(6-8-27)28-13-16(11-26-28)20-12-25-23(24)22-19(20)10-21(31-22)15-3-2-4-18(30)9-15/h2-4,9-13,17,30H,5-8H2,1H3,(H2,24,25)
InChIKeyYYTVWIMHEXZBKS-UHFFFAOYSA-N
XLogP3.83
TPSA110.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[7-amino-2-(3-hydroxyphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[7-amino-2-(3-hydroxyphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (CID 66759532) is 1-[4-[4-[7-amino-2-(3-hydroxyphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[7-amino-2-(3-hydroxyphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[7-amino-2-(3-hydroxyphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(O)c5)cc34)cn2)CC1.
What is the InChIKey of 1-[4-[4-[7-amino-2-(3-hydroxyphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is YYTVWIMHEXZBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-14(29)27-7-5-17(6-8-27)28-13-16(11-26-28)20-12-25-23(24)22-19(20)10-21(31-22)15-3-2-4-18(30)9-15/h2-4,9-13,17,30H,5-8H2,1H3,(H2,24,25).
What are the key properties of 1-[4-[4-[7-amino-2-(3-hydroxyphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-[7-amino-2-(3-hydroxyphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 417.47 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[7-amino-2-(3-hydroxyphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 66759532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).