4-(3-fluorophenyl)-10-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

C20H25FN4O2 — CID 155986230

IUPAC4-(3-fluorophenyl)-10-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCn1nccc1CN1CCCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2
InChIInChI=1S/C20H25FN4O2/c1-23-18(6-9-22-23)13-24-10-3-7-20(8-11-24)15-25(19(26)14-27-20)17-5-2-4-16(21)12-17/h2,4-6,9,12H,3,7-8,10-11,13-15H2,1H3
InChIKeyCHNALQIDCIDZOL-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.35
Rot. Bonds3

About 4-(3-fluorophenyl)-10-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

4-(3-fluorophenyl)-10-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (PubChem CID 155986230) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-10-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-10-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
PubChem CID155986230
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name4-(3-fluorophenyl)-10-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCn1nccc1CN1CCCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2
InChIInChI=1S/C20H25FN4O2/c1-23-18(6-9-22-23)13-24-10-3-7-20(8-11-24)15-25(19(26)14-27-20)17-5-2-4-16(21)12-17/h2,4-6,9,12H,3,7-8,10-11,13-15H2,1H3
InChIKeyCHNALQIDCIDZOL-UHFFFAOYSA-N
XLogP2.35
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-fluorophenyl)-9-[(4-methylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985884
4-(3-fluorophenyl)-9-[(4-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985981
4-(3-fluorophenyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985939
2-[(2,6-difluorophenyl)methyl]-9-(3-fluorophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 155986144
4-(3-fluorophenyl)-10-(1-methylimidazole-2-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986285
4-(3-fluorophenyl)-10-(4-methylbenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986315
4-(4-fluorophenyl)-10-(1,3-thiazol-5-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986247
4-(4-fluorophenyl)-10-(1,3-thiazol-2-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986244
4-(3-fluorophenyl)-9-(2-methylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985831
4-(3-fluorophenyl)-10-(6-methylpyridine-3-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986326
2-[2-(dimethylamino)acetyl]-9-(3-fluorophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 155986078
9-[(1-methylpyrrol-2-yl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451063

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-10-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 4-(3-fluorophenyl)-10-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (CID 155986230) is 4-(3-fluorophenyl)-10-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 4-(3-fluorophenyl)-10-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 4-(3-fluorophenyl)-10-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is Cn1nccc1CN1CCCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2.
What is the InChIKey of 4-(3-fluorophenyl)-10-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The InChIKey is CHNALQIDCIDZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-23-18(6-9-22-23)13-24-10-3-7-20(8-11-24)15-25(19(26)14-27-20)17-5-2-4-16(21)12-17/h2,4-6,9,12H,3,7-8,10-11,13-15H2,1H3.
What are the key properties of 4-(3-fluorophenyl)-10-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
4-(3-fluorophenyl)-10-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one has a molecular weight of 372.44 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-10-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 155986230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).