(6R)-8-(3-fluoro-2-pyridinyl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

C18H21FN4O — CID 97396447

IUPAC(6R)-8-(3-fluoro-2-pyridinyl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESFc1cccnc1N1CCC[C@@]2(CN(c3ccccn3)CCO2)C1
InChIInChI=1S/C18H21FN4O/c19-15-5-3-9-21-17(15)23-10-4-7-18(14-23)13-22(11-12-24-18)16-6-1-2-8-20-16/h1-3,5-6,8-9H,4,7,10-14H2/t18-/m1/s1
InChIKeyDQIQXAOVEPMUND-GOSISDBHSA-N
MW328.39 g/mol
LogP2.49
Rot. Bonds2

About (6R)-8-(3-fluoro-2-pyridinyl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

(6R)-8-(3-fluoro-2-pyridinyl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 97396447) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is (6R)-8-(3-fluoro-2-pyridinyl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(6R)-8-(3-fluoro-2-pyridinyl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID97396447
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name(6R)-8-(3-fluoro-2-pyridinyl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESFc1cccnc1N1CCC[C@@]2(CN(c3ccccn3)CCO2)C1
InChIInChI=1S/C18H21FN4O/c19-15-5-3-9-21-17(15)23-10-4-7-18(14-23)13-22(11-12-24-18)16-6-1-2-8-20-16/h1-3,5-6,8-9H,4,7,10-14H2/t18-/m1/s1
InChIKeyDQIQXAOVEPMUND-GOSISDBHSA-N
XLogP2.49
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6R)-8-(3-fluoro-2-pyridinyl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane with MolForge

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Launch Full Analysis

Related Compounds

(6S)-8-(3-fluoro-2-pyridinyl)-4-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396446
[(6S)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1H-pyrrol-2-yl)methanone
CID 97492105
(6R)-8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 97492112
9-pyridin-2-yl-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479328
[(6R)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone
CID 97492101
8-pyridin-2-yl-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131646115
(6S)-8-(3-fluoro-2-pyridinyl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492090
(6R)-8-(3-fluoro-2-pyridinyl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492089
8-(3-fluoro-2-pyridinyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131640278
(6S)-4-(furan-2-ylmethyl)-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492059
8-pyrimidin-2-yl-4-pyrimidin-4-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134077831
(6S)-8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372435

Frequently Asked Questions

What is the IUPAC name of (6R)-8-(3-fluoro-2-pyridinyl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of (6R)-8-(3-fluoro-2-pyridinyl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (CID 97396447) is (6R)-8-(3-fluoro-2-pyridinyl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for (6R)-8-(3-fluoro-2-pyridinyl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for (6R)-8-(3-fluoro-2-pyridinyl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is Fc1cccnc1N1CCC[C@@]2(CN(c3ccccn3)CCO2)C1.
What is the InChIKey of (6R)-8-(3-fluoro-2-pyridinyl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is DQIQXAOVEPMUND-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-15-5-3-9-21-17(15)23-10-4-7-18(14-23)13-22(11-12-24-18)16-6-1-2-8-20-16/h1-3,5-6,8-9H,4,7,10-14H2/t18-/m1/s1.
What are the key properties of (6R)-8-(3-fluoro-2-pyridinyl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
(6R)-8-(3-fluoro-2-pyridinyl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 328.39 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-(3-fluoro-2-pyridinyl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 97396447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).