(6S)-4-[(6-methyl-2-pyridinyl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

C19H25N5O — CID 97396498

IUPAC(6S)-4-[(6-methyl-2-pyridinyl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1cccc(CN2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)n1
InChIInChI=1S/C19H25N5O/c1-16-4-2-5-17(22-16)13-23-10-11-25-19(14-23)6-3-9-24(15-19)18-12-20-7-8-21-18/h2,4-5,7-8,12H,3,6,9-11,13-15H2,1H3/t19-/m0/s1
InChIKeyLXBXHIPVZTZKFB-IBGZPJMESA-N
MW339.44 g/mol
LogP2.05
Rot. Bonds3

About (6S)-4-[(6-methyl-2-pyridinyl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

(6S)-4-[(6-methyl-2-pyridinyl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 97396498) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (6S)-4-[(6-methyl-2-pyridinyl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(6S)-4-[(6-methyl-2-pyridinyl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID97396498
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(6S)-4-[(6-methyl-2-pyridinyl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1cccc(CN2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)n1
InChIInChI=1S/C19H25N5O/c1-16-4-2-5-17(22-16)13-23-10-11-25-19(14-23)6-3-9-24(15-19)18-12-20-7-8-21-18/h2,4-5,7-8,12H,3,6,9-11,13-15H2,1H3/t19-/m0/s1
InChIKeyLXBXHIPVZTZKFB-IBGZPJMESA-N
XLogP2.05
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6S)-8-pyrazin-2-yl-4-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372432
(6S)-8-pyrazin-2-yl-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372434
(6R)-4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492189
(6S)-8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372435
(6-methyl-2-pyridinyl)-[(6S)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 97372447
(6S)-8-pyrazin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372423
8-pyrazin-2-yl-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 171693195
4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 171672882
2-methyl-1-[(6S)-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one
CID 97492474
(6R)-4-(5-ethylpyrimidin-2-yl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396496
8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 155854887
8-pyridin-2-yl-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131646115

Frequently Asked Questions

What is the IUPAC name of (6S)-4-[(6-methyl-2-pyridinyl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of (6S)-4-[(6-methyl-2-pyridinyl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (CID 97396498) is (6S)-4-[(6-methyl-2-pyridinyl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for (6S)-4-[(6-methyl-2-pyridinyl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for (6S)-4-[(6-methyl-2-pyridinyl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is Cc1cccc(CN2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)n1.
What is the InChIKey of (6S)-4-[(6-methyl-2-pyridinyl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is LXBXHIPVZTZKFB-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25N5O/c1-16-4-2-5-17(22-16)13-23-10-11-25-19(14-23)6-3-9-24(15-19)18-12-20-7-8-21-18/h2,4-5,7-8,12H,3,6,9-11,13-15H2,1H3/t19-/m0/s1.
What are the key properties of (6S)-4-[(6-methyl-2-pyridinyl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
(6S)-4-[(6-methyl-2-pyridinyl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 339.44 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-[(6-methyl-2-pyridinyl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 97396498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).