[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1H-pyrazol-5-yl)methanone

C16H19FN6O2 — CID 155902403

IUPAC[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCOC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C16H19FN6O2/c17-12-8-18-15(19-9-12)23-5-1-3-16(11-23)10-22(6-7-25-16)14(24)13-2-4-20-21-13/h2,4,8-9H,1,3,5-7,10-11H2,(H,20,21)
InChIKeyUSVLKVVKGKSIBQ-UHFFFAOYSA-N
MW346.37 g/mol
LogP0.85
Rot. Bonds2

About [8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1H-pyrazol-5-yl)methanone

[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 155902403) has the molecular formula C16H19FN6O2 and a molecular weight of 346.37 g/mol. Its IUPAC name is [8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID155902403
Molecular FormulaC16H19FN6O2
Molecular Weight346.37 g/mol
Exact Mass346.16
IUPAC Name[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCOC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C16H19FN6O2/c17-12-8-18-15(19-9-12)23-5-1-3-16(11-23)10-22(6-7-25-16)14(24)13-2-4-20-21-13/h2,4,8-9H,1,3,5-7,10-11H2,(H,20,21)
InChIKeyUSVLKVVKGKSIBQ-UHFFFAOYSA-N
XLogP0.85
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-1H-pyrazol-3-yl)-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 118745655
N-[[(3R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 164637213
1H-pyrazol-5-yl-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 167472035
[1-(Difluoromethyl)pyrazol-3-yl]-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]methanone
CID 92416236
[2-(Difluoromethyl)pyrazol-3-yl]-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]methanone
CID 92416237
[1-(Difluoromethyl)pyrazol-3-yl]-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]methanone
CID 95799246
[(3S,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-pyrazol-5-yl)methanone
CID 97394669
[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-pyrazol-5-yl)methanone
CID 97394670
[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-pyrazol-5-yl)methanone
CID 97394671
[(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-pyrazol-5-yl)methanone
CID 97394672
[(3S,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-pyrazol-5-yl)methanone
CID 97489477
[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-pyrazol-5-yl)methanone
CID 97489479

Frequently Asked Questions

What is the IUPAC name of [8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1H-pyrazol-5-yl)methanone (CID 155902403) is [8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1H-pyrazol-5-yl)methanone is O=C(c1ccn[nH]1)N1CCOC2(CCCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of [8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is USVLKVVKGKSIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6O2/c17-12-8-18-15(19-9-12)23-5-1-3-16(11-23)10-22(6-7-25-16)14(24)13-2-4-20-21-13/h2,4,8-9H,1,3,5-7,10-11H2,(H,20,21).
What are the key properties of [8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1H-pyrazol-5-yl)methanone?
[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 346.37 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 155902403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).