[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-pyrazol-5-yl)methanone

C15H17FN6O2 — CID 131640758

IUPAC[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCC2(CC(Nc3ncc(F)cn3)CO2)C1
InChIInChI=1S/C15H17FN6O2/c16-10-6-17-14(18-7-10)20-11-5-15(24-8-11)2-4-22(9-15)13(23)12-1-3-19-21-12/h1,3,6-7,11H,2,4-5,8-9H2,(H,19,21)(H,17,18,20)
InChIKeyDLEGEWBRESUGDH-UHFFFAOYSA-N
MW332.34 g/mol
LogP0.82
Rot. Bonds3

About [3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-pyrazol-5-yl)methanone

[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 131640758) has the molecular formula C15H17FN6O2 and a molecular weight of 332.34 g/mol. Its IUPAC name is [3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID131640758
Molecular FormulaC15H17FN6O2
Molecular Weight332.34 g/mol
Exact Mass332.14
IUPAC Name[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCC2(CC(Nc3ncc(F)cn3)CO2)C1
InChIInChI=1S/C15H17FN6O2/c16-10-6-17-14(18-7-10)20-11-5-15(24-8-11)2-4-22(9-15)13(23)12-1-3-19-21-12/h1,3,6-7,11H,2,4-5,8-9H2,(H,19,21)(H,17,18,20)
InChIKeyDLEGEWBRESUGDH-UHFFFAOYSA-N
XLogP0.82
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1-Methylpyrazol-3-yl)-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 118740735
[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1H-pyrazol-5-yl)methanone
CID 155902403
[(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
[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-pyrazol-5-yl)methanone
CID 97489481
[(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-pyrazol-5-yl)methanone
CID 97489484
N-[[(3S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 124246571
N-[2-[(8R)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-2-methylpyrazole-3-carboxamide
CID 124810780

Frequently Asked Questions

What is the IUPAC name of [3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-pyrazol-5-yl)methanone (CID 131640758) is [3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-pyrazol-5-yl)methanone is O=C(c1ccn[nH]1)N1CCC2(CC(Nc3ncc(F)cn3)CO2)C1.
What is the InChIKey of [3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is DLEGEWBRESUGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6O2/c16-10-6-17-14(18-7-10)20-11-5-15(24-8-11)2-4-22(9-15)13(23)12-1-3-19-21-12/h1,3,6-7,11H,2,4-5,8-9H2,(H,19,21)(H,17,18,20).
What are the key properties of [3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-pyrazol-5-yl)methanone?
[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 332.34 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 131640758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).