4-[(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)amino]adamantan-1-ol

C18H21FN2O — CID 58146846

IUPAC4-[(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)amino]adamantan-1-ol
SMILESOC12CC3CC(C1)C(Nc1c(F)cnc4c1C=CC4)C(C3)C2
InChIInChI=1S/C18H21FN2O/c19-14-9-20-15-3-1-2-13(15)17(14)21-16-11-4-10-5-12(16)8-18(22,6-10)7-11/h1-2,9-12,16,22H,3-8H2,(H,20,21)
InChIKeyIVGHOONXOSEHMW-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.14
Rot. Bonds2

About 4-[(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)amino]adamantan-1-ol

4-[(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)amino]adamantan-1-ol (PubChem CID 58146846) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-[(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)amino]adamantan-1-ol.

Molecular Properties

Compound Name4-[(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)amino]adamantan-1-ol
PubChem CID58146846
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name4-[(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)amino]adamantan-1-ol
SMILESOC12CC3CC(C1)C(Nc1c(F)cnc4c1C=CC4)C(C3)C2
InChIInChI=1S/C18H21FN2O/c19-14-9-20-15-3-1-2-13(15)17(14)21-16-11-4-10-5-12(16)8-18(22,6-10)7-11/h1-2,9-12,16,22H,3-8H2,(H,20,21)
InChIKeyIVGHOONXOSEHMW-UHFFFAOYSA-N
XLogP3.14
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)amino]adamantan-1-ol?
The IUPAC name of 4-[(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)amino]adamantan-1-ol (CID 58146846) is 4-[(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)amino]adamantan-1-ol.
What is the SMILES notation for 4-[(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)amino]adamantan-1-ol?
The canonical SMILES for 4-[(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)amino]adamantan-1-ol is OC12CC3CC(C1)C(Nc1c(F)cnc4c1C=CC4)C(C3)C2.
What is the InChIKey of 4-[(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)amino]adamantan-1-ol?
The InChIKey is IVGHOONXOSEHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c19-14-9-20-15-3-1-2-13(15)17(14)21-16-11-4-10-5-12(16)8-18(22,6-10)7-11/h1-2,9-12,16,22H,3-8H2,(H,20,21).
What are the key properties of 4-[(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)amino]adamantan-1-ol?
4-[(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)amino]adamantan-1-ol has a molecular weight of 300.38 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)amino]adamantan-1-ol is sourced from PubChem (CID 58146846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).