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

C23H29N5O2 — CID 53378590

IUPAC1-[4-[4-(7-amino-2-cyclohexylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(C5CCCCC5)cc34)cn2)CC1
InChIInChI=1S/C23H29N5O2/c1-15(29)27-9-7-18(8-10-27)28-14-17(12-26-28)20-13-25-23(24)22-19(20)11-21(30-22)16-5-3-2-4-6-16/h11-14,16,18H,2-10H2,1H3,(H2,24,25)
InChIKeyJMWLMRFTIKZMEL-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.50
Rot. Bonds3

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

1-[4-[4-(7-amino-2-cyclohexylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 53378590) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-[4-[4-(7-amino-2-cyclohexylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(7-amino-2-cyclohexylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID53378590
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name1-[4-[4-(7-amino-2-cyclohexylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(C5CCCCC5)cc34)cn2)CC1
InChIInChI=1S/C23H29N5O2/c1-15(29)27-9-7-18(8-10-27)28-14-17(12-26-28)20-13-25-23(24)22-19(20)11-21(30-22)16-5-3-2-4-6-16/h11-14,16,18H,2-10H2,1H3,(H2,24,25)
InChIKeyJMWLMRFTIKZMEL-UHFFFAOYSA-N
XLogP4.50
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.50
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-cyclohexylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(7-amino-2-cyclohexylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone (CID 53378590) is 1-[4-[4-(7-amino-2-cyclohexylfuro[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-cyclohexylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(7-amino-2-cyclohexylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(C5CCCCC5)cc34)cn2)CC1.
What is the InChIKey of 1-[4-[4-(7-amino-2-cyclohexylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is JMWLMRFTIKZMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-15(29)27-9-7-18(8-10-27)28-14-17(12-26-28)20-13-25-23(24)22-19(20)11-21(30-22)16-5-3-2-4-6-16/h11-14,16,18H,2-10H2,1H3,(H2,24,25).
What are the key properties of 1-[4-[4-(7-amino-2-cyclohexylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-(7-amino-2-cyclohexylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 407.52 g/mol, XLogP of 4.50, 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-cyclohexylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53378590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).