1-[4-[4-(7-amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone

C23H22N8O2 — CID 53379264

IUPAC1-[4-[4-(7-amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cnc6cnccn56)cc34)cn2)CC1
InChIInChI=1S/C23H22N8O2/c1-14(32)29-5-2-16(3-6-29)31-13-15(9-28-31)18-10-27-23(24)22-17(18)8-20(33-22)19-11-26-21-12-25-4-7-30(19)21/h4,7-13,16H,2-3,5-6H2,1H3,(H2,24,27)
InChIKeyISEKYRIAXCKIDO-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.17
Rot. Bonds3

About 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone

1-[4-[4-(7-amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 53379264) has the molecular formula C23H22N8O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(7-amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID53379264
Molecular FormulaC23H22N8O2
Molecular Weight442.48 g/mol
Exact Mass442.19
IUPAC Name1-[4-[4-(7-amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cnc6cnccn56)cc34)cn2)CC1
InChIInChI=1S/C23H22N8O2/c1-14(32)29-5-2-16(3-6-29)31-13-15(9-28-31)18-10-27-23(24)22-17(18)8-20(33-22)19-11-26-21-12-25-4-7-30(19)21/h4,7-13,16H,2-3,5-6H2,1H3,(H2,24,27)
InChIKeyISEKYRIAXCKIDO-UHFFFAOYSA-N
XLogP3.17
TPSA120.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone (CID 53379264) is 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[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-imidazo[1,2-a]pyrazin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cnc6cnccn56)cc34)cn2)CC1.
What is the InChIKey of 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is ISEKYRIAXCKIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O2/c1-14(32)29-5-2-16(3-6-29)31-13-15(9-28-31)18-10-27-23(24)22-17(18)8-20(33-22)19-11-26-21-12-25-4-7-30(19)21/h4,7-13,16H,2-3,5-6H2,1H3,(H2,24,27).
What are the key properties of 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-(7-amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 442.48 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53379264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).