pyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone

C19H23N5O — CID 3234054

IUPACpyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(c1ccncc1)N1CCC2(CCCN(c3ncccn3)C2)CC1
InChIInChI=1S/C19H23N5O/c25-17(16-3-10-20-11-4-16)23-13-6-19(7-14-23)5-1-12-24(15-19)18-21-8-2-9-22-18/h2-4,8-11H,1,5-7,12-15H2
InChIKeySGULPJOIDHXXTH-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.39
Rot. Bonds2

About pyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone

pyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 3234054) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is pyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Namepyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
PubChem CID3234054
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Namepyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(c1ccncc1)N1CCC2(CCCN(c3ncccn3)C2)CC1
InChIInChI=1S/C19H23N5O/c25-17(16-3-10-20-11-4-16)23-13-6-19(7-14-23)5-1-12-24(15-19)18-21-8-2-9-22-18/h2-4,8-11H,1,5-7,12-15H2
InChIKeySGULPJOIDHXXTH-UHFFFAOYSA-N
XLogP2.39
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-4-yl-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3235542
[(1S,2R)-2-fluorocyclopropyl]-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 131690615
[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone
CID 97450078
(4-methoxyphenyl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3235378
[3,5-bis(trifluoromethyl)phenyl]-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3235071
morpholin-4-yl-[(5S)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97450246
(5S)-2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 97483918
[9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-4-ylmethanone
CID 167940871
(2-methylfuran-3-yl)-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97449506
pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235354
pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131649206
2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
CID 97369995

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of pyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone (CID 3234054) is pyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for pyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for pyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone is O=C(c1ccncc1)N1CCC2(CCCN(c3ncccn3)C2)CC1.
What is the InChIKey of pyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is SGULPJOIDHXXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c25-17(16-3-10-20-11-4-16)23-13-6-19(7-14-23)5-1-12-24(15-19)18-21-8-2-9-22-18/h2-4,8-11H,1,5-7,12-15H2.
What are the key properties of pyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
pyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 337.43 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 3234054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).