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

C27H25N5O2 — CID 66760349

IUPAC1-[4-[4-(7-amino-2-naphthalen-1-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc6ccccc56)cc34)cn2)CC1
InChIInChI=1S/C27H25N5O2/c1-17(33)31-11-9-20(10-12-31)32-16-19(14-30-32)24-15-29-27(28)26-23(24)13-25(34-26)22-8-4-6-18-5-2-3-7-21(18)22/h2-8,13-16,20H,9-12H2,1H3,(H2,28,29)
InChIKeyPYNBJKLUOZMGRV-UHFFFAOYSA-N
MW451.53 g/mol
LogP5.28
Rot. Bonds3

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

1-[4-[4-(7-amino-2-naphthalen-1-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 66760349) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is 1-[4-[4-(7-amino-2-naphthalen-1-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(7-amino-2-naphthalen-1-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID66760349
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC Name1-[4-[4-(7-amino-2-naphthalen-1-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc6ccccc56)cc34)cn2)CC1
InChIInChI=1S/C27H25N5O2/c1-17(33)31-11-9-20(10-12-31)32-16-19(14-30-32)24-15-29-27(28)26-23(24)13-25(34-26)22-8-4-6-18-5-2-3-7-21(18)22/h2-8,13-16,20H,9-12H2,1H3,(H2,28,29)
InChIKeyPYNBJKLUOZMGRV-UHFFFAOYSA-N
XLogP5.28
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(7-amino-2-naphthalen-1-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(7-amino-2-naphthalen-1-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone (CID 66760349) is 1-[4-[4-(7-amino-2-naphthalen-1-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-naphthalen-1-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(7-amino-2-naphthalen-1-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc6ccccc56)cc34)cn2)CC1.
What is the InChIKey of 1-[4-[4-(7-amino-2-naphthalen-1-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is PYNBJKLUOZMGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c1-17(33)31-11-9-20(10-12-31)32-16-19(14-30-32)24-15-29-27(28)26-23(24)13-25(34-26)22-8-4-6-18-5-2-3-7-21(18)22/h2-8,13-16,20H,9-12H2,1H3,(H2,28,29).
What are the key properties of 1-[4-[4-(7-amino-2-naphthalen-1-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-(7-amino-2-naphthalen-1-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 451.53 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(7-amino-2-naphthalen-1-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 66760349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).