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

C23H24N6O2 — CID 66760411

IUPAC1-[4-[4-[7-amino-2-(4-aminophenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccc(N)cc5)cc34)cn2)CC1
InChIInChI=1S/C23H24N6O2/c1-14(30)28-8-6-18(7-9-28)29-13-16(11-27-29)20-12-26-23(25)22-19(20)10-21(31-22)15-2-4-17(24)5-3-15/h2-5,10-13,18H,6-9,24H2,1H3,(H2,25,26)
InChIKeyUJBVXNIBLOQMGM-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.71
Rot. Bonds3

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

1-[4-[4-[7-amino-2-(4-aminophenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 66760411) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 1-[4-[4-[7-amino-2-(4-aminophenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[7-amino-2-(4-aminophenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID66760411
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name1-[4-[4-[7-amino-2-(4-aminophenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccc(N)cc5)cc34)cn2)CC1
InChIInChI=1S/C23H24N6O2/c1-14(30)28-8-6-18(7-9-28)29-13-16(11-27-29)20-12-26-23(25)22-19(20)10-21(31-22)15-2-4-17(24)5-3-15/h2-5,10-13,18H,6-9,24H2,1H3,(H2,25,26)
InChIKeyUJBVXNIBLOQMGM-UHFFFAOYSA-N
XLogP3.71
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[7-amino-2-(4-aminophenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[7-amino-2-(4-aminophenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (CID 66760411) is 1-[4-[4-[7-amino-2-(4-aminophenyl)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-(4-aminophenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[7-amino-2-(4-aminophenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccc(N)cc5)cc34)cn2)CC1.
What is the InChIKey of 1-[4-[4-[7-amino-2-(4-aminophenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is UJBVXNIBLOQMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-14(30)28-8-6-18(7-9-28)29-13-16(11-27-29)20-12-26-23(25)22-19(20)10-21(31-22)15-2-4-17(24)5-3-15/h2-5,10-13,18H,6-9,24H2,1H3,(H2,25,26).
What are the key properties of 1-[4-[4-[7-amino-2-(4-aminophenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-[7-amino-2-(4-aminophenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 416.49 g/mol, XLogP of 3.71, 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-(4-aminophenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 66760411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).