[9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone

C18H21FN4O2 — CID 118744695

IUPAC[9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C18H21FN4O2/c1-13-15(3-8-25-13)16(24)22-7-5-18(11-22)4-2-6-23(12-18)17-20-9-14(19)10-21-17/h3,8-10H,2,4-7,11-12H2,1H3
InChIKeyMYWXSLGMKDBTRC-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.65
Rot. Bonds2

About [9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone

[9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 118744695) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is [9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone
PubChem CID118744695
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name[9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C18H21FN4O2/c1-13-15(3-8-25-13)16(24)22-7-5-18(11-22)4-2-6-23(12-18)17-20-9-14(19)10-21-17/h3,8-10H,2,4-7,11-12H2,1H3
InChIKeyMYWXSLGMKDBTRC-UHFFFAOYSA-N
XLogP2.65
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone (CID 118744695) is [9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CCC2(CCCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of [9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is MYWXSLGMKDBTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-13-15(3-8-25-13)16(24)22-7-5-18(11-22)4-2-6-23(12-18)17-20-9-14(19)10-21-17/h3,8-10H,2,4-7,11-12H2,1H3.
What are the key properties of [9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone?
[9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 344.39 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 118744695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).