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

C20H21N7O2 — CID 53377635

IUPAC1-[4-[4-[7-amino-2-(1H-pyrazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cn[nH]c5)cc34)cn2)CC1
InChIInChI=1S/C20H21N7O2/c1-12(28)26-4-2-15(3-5-26)27-11-14(9-25-27)17-10-22-20(21)19-16(17)6-18(29-19)13-7-23-24-8-13/h6-11,15H,2-5H2,1H3,(H2,21,22)(H,23,24)
InChIKeyJXNXZCJQWOEXJV-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.85
Rot. Bonds3

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

1-[4-[4-[7-amino-2-(1H-pyrazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 53377635) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 1-[4-[4-[7-amino-2-(1H-pyrazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[7-amino-2-(1H-pyrazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID53377635
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name1-[4-[4-[7-amino-2-(1H-pyrazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cn[nH]c5)cc34)cn2)CC1
InChIInChI=1S/C20H21N7O2/c1-12(28)26-4-2-15(3-5-26)27-11-14(9-25-27)17-10-22-20(21)19-16(17)6-18(29-19)13-7-23-24-8-13/h6-11,15H,2-5H2,1H3,(H2,21,22)(H,23,24)
InChIKeyJXNXZCJQWOEXJV-UHFFFAOYSA-N
XLogP2.85
TPSA118.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.85
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-(1H-pyrazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[7-amino-2-(1H-pyrazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (CID 53377635) is 1-[4-[4-[7-amino-2-(1H-pyrazol-4-yl)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-(1H-pyrazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[7-amino-2-(1H-pyrazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cn[nH]c5)cc34)cn2)CC1.
What is the InChIKey of 1-[4-[4-[7-amino-2-(1H-pyrazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is JXNXZCJQWOEXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-12(28)26-4-2-15(3-5-26)27-11-14(9-25-27)17-10-22-20(21)19-16(17)6-18(29-19)13-7-23-24-8-13/h6-11,15H,2-5H2,1H3,(H2,21,22)(H,23,24).
What are the key properties of 1-[4-[4-[7-amino-2-(1H-pyrazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-[7-amino-2-(1H-pyrazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 391.44 g/mol, XLogP of 2.85, 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-(1H-pyrazol-4-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53377635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).