1-[4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridin-3-yl]ethanone

C20H23FN2O — CID 58146348

IUPAC1-[4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2c(c1NC1C3CC4CC1CC(F)(C4)C3)C=CC2
InChIInChI=1S/C20H23FN2O/c1-11(24)16-10-22-17-4-2-3-15(17)19(16)23-18-13-5-12-6-14(18)9-20(21,7-12)8-13/h2-3,10,12-14,18H,4-9H2,1H3,(H,22,23)
InChIKeyCPFDHMLNOPZJPT-UHFFFAOYSA-N
MW326.41 g/mol
LogP4.18
Rot. Bonds3

About 1-[4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridin-3-yl]ethanone

1-[4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridin-3-yl]ethanone (PubChem CID 58146348) has the molecular formula C20H23FN2O and a molecular weight of 326.41 g/mol. Its IUPAC name is 1-[4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridin-3-yl]ethanone
PubChem CID58146348
Molecular FormulaC20H23FN2O
Molecular Weight326.41 g/mol
Exact Mass326.18
IUPAC Name1-[4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2c(c1NC1C3CC4CC1CC(F)(C4)C3)C=CC2
InChIInChI=1S/C20H23FN2O/c1-11(24)16-10-22-17-4-2-3-15(17)19(16)23-18-13-5-12-6-14(18)9-20(21,7-12)8-13/h2-3,10,12-14,18H,4-9H2,1H3,(H,22,23)
InChIKeyCPFDHMLNOPZJPT-UHFFFAOYSA-N
XLogP4.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridin-3-yl]ethanone?
The IUPAC name of 1-[4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridin-3-yl]ethanone (CID 58146348) is 1-[4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridin-3-yl]ethanone.
What is the SMILES notation for 1-[4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridin-3-yl]ethanone?
The canonical SMILES for 1-[4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridin-3-yl]ethanone is CC(=O)c1cnc2c(c1NC1C3CC4CC1CC(F)(C4)C3)C=CC2.
What is the InChIKey of 1-[4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridin-3-yl]ethanone?
The InChIKey is CPFDHMLNOPZJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-11(24)16-10-22-17-4-2-3-15(17)19(16)23-18-13-5-12-6-14(18)9-20(21,7-12)8-13/h2-3,10,12-14,18H,4-9H2,1H3,(H,22,23).
What are the key properties of 1-[4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridin-3-yl]ethanone?
1-[4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridin-3-yl]ethanone has a molecular weight of 326.41 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridin-3-yl]ethanone is sourced from PubChem (CID 58146348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).