(1,5-dimethylpyrazol-3-yl)-[4-(3-fluoro-4-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone

C19H24FN5O2 — CID 131905519

IUPAC(1,5-dimethylpyrazol-3-yl)-[4-(3-fluoro-4-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)CN(c2ccncc2F)CCO3)nn1C
InChIInChI=1S/C19H24FN5O2/c1-14-11-16(22-23(14)2)18(26)24-7-4-19(5-8-24)13-25(9-10-27-19)17-3-6-21-12-15(17)20/h3,6,11-12H,4-5,7-10,13H2,1-2H3
InChIKeyDACJHMSLSWDASL-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.77
Rot. Bonds2

About (1,5-dimethylpyrazol-3-yl)-[4-(3-fluoro-4-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone

(1,5-dimethylpyrazol-3-yl)-[4-(3-fluoro-4-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 131905519) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-[4-(3-fluoro-4-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-[4-(3-fluoro-4-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID131905519
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name(1,5-dimethylpyrazol-3-yl)-[4-(3-fluoro-4-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)CN(c2ccncc2F)CCO3)nn1C
InChIInChI=1S/C19H24FN5O2/c1-14-11-16(22-23(14)2)18(26)24-7-4-19(5-8-24)13-25(9-10-27-19)17-3-6-21-12-15(17)20/h3,6,11-12H,4-5,7-10,13H2,1-2H3
InChIKeyDACJHMSLSWDASL-UHFFFAOYSA-N
XLogP1.77
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-[4-(3-fluoro-4-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-[4-(3-fluoro-4-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 131905519) is (1,5-dimethylpyrazol-3-yl)-[4-(3-fluoro-4-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-[4-(3-fluoro-4-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-[4-(3-fluoro-4-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone is Cc1cc(C(=O)N2CCC3(CC2)CN(c2ccncc2F)CCO3)nn1C.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-[4-(3-fluoro-4-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is DACJHMSLSWDASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-14-11-16(22-23(14)2)18(26)24-7-4-19(5-8-24)13-25(9-10-27-19)17-3-6-21-12-15(17)20/h3,6,11-12H,4-5,7-10,13H2,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-[4-(3-fluoro-4-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
(1,5-dimethylpyrazol-3-yl)-[4-(3-fluoro-4-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 373.43 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-[4-(3-fluoro-4-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 131905519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).