[7-[4-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid;hydrochloride

C20H23ClFN3O2 — CID 68761884

IUPAC[7-[4-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid;hydrochloride
SMILESCl.O=C(O)NC1CC2(CCN(c3cc(-c4ccc(F)cc4)ccn3)CC2)C1
InChIInChI=1S/C20H22FN3O2.ClH/c21-16-3-1-14(2-4-16)15-5-8-22-18(11-15)24-9-6-20(7-10-24)12-17(13-20)23-19(25)26;/h1-5,8,11,17,23H,6-7,9-10,12-13H2,(H,25,26);1H
InChIKeyPCKVTZVVGJSDOD-UHFFFAOYSA-N
MW391.87 g/mol
LogP4.33
Rot. Bonds3

About [7-[4-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid;hydrochloride

[7-[4-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid;hydrochloride (PubChem CID 68761884) has the molecular formula C20H23ClFN3O2 and a molecular weight of 391.87 g/mol. Its IUPAC name is [7-[4-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid;hydrochloride.

Molecular Properties

Compound Name[7-[4-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid;hydrochloride
PubChem CID68761884
Molecular FormulaC20H23ClFN3O2
Molecular Weight391.87 g/mol
Exact Mass391.15
IUPAC Name[7-[4-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid;hydrochloride
SMILESCl.O=C(O)NC1CC2(CCN(c3cc(-c4ccc(F)cc4)ccn3)CC2)C1
InChIInChI=1S/C20H22FN3O2.ClH/c21-16-3-1-14(2-4-16)15-5-8-22-18(11-15)24-9-6-20(7-10-24)12-17(13-20)23-19(25)26;/h1-5,8,11,17,23H,6-7,9-10,12-13H2,(H,25,26);1H
InChIKeyPCKVTZVVGJSDOD-UHFFFAOYSA-N
XLogP4.33
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.87
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [7-[4-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid;hydrochloride?
The IUPAC name of [7-[4-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid;hydrochloride (CID 68761884) is [7-[4-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid;hydrochloride.
What is the SMILES notation for [7-[4-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid;hydrochloride?
The canonical SMILES for [7-[4-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid;hydrochloride is Cl.O=C(O)NC1CC2(CCN(c3cc(-c4ccc(F)cc4)ccn3)CC2)C1.
What is the InChIKey of [7-[4-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid;hydrochloride?
The InChIKey is PCKVTZVVGJSDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2.ClH/c21-16-3-1-14(2-4-16)15-5-8-22-18(11-15)24-9-6-20(7-10-24)12-17(13-20)23-19(25)26;/h1-5,8,11,17,23H,6-7,9-10,12-13H2,(H,25,26);1H.
What are the key properties of [7-[4-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid;hydrochloride?
[7-[4-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid;hydrochloride has a molecular weight of 391.87 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[4-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid;hydrochloride is sourced from PubChem (CID 68761884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).