(5-fluoro-2-pyridinyl)-[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]methanone

C20H27FN6O — CID 146069114

IUPAC(5-fluoro-2-pyridinyl)-[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCCCn1cnnc1C1CN(C)CC12CCN(C(=O)c1ccc(F)cn1)CC2
InChIInChI=1S/C20H27FN6O/c1-3-8-27-14-23-24-18(27)16-12-25(2)13-20(16)6-9-26(10-7-20)19(28)17-5-4-15(21)11-22-17/h4-5,11,14,16H,3,6-10,12-13H2,1-2H3
InChIKeyWXQWSYNKQONIQN-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.17
Rot. Bonds4

About (5-fluoro-2-pyridinyl)-[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]methanone

(5-fluoro-2-pyridinyl)-[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 146069114) has the molecular formula C20H27FN6O and a molecular weight of 386.48 g/mol. Its IUPAC name is (5-fluoro-2-pyridinyl)-[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-pyridinyl)-[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID146069114
Molecular FormulaC20H27FN6O
Molecular Weight386.48 g/mol
Exact Mass386.22
IUPAC Name(5-fluoro-2-pyridinyl)-[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCCCn1cnnc1C1CN(C)CC12CCN(C(=O)c1ccc(F)cn1)CC2
InChIInChI=1S/C20H27FN6O/c1-3-8-27-14-23-24-18(27)16-12-25(2)13-20(16)6-9-26(10-7-20)19(28)17-5-4-15(21)11-22-17/h4-5,11,14,16H,3,6-10,12-13H2,1-2H3
InChIKeyWXQWSYNKQONIQN-UHFFFAOYSA-N
XLogP2.17
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-pyridinyl)-[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (5-fluoro-2-pyridinyl)-[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]methanone (CID 146069114) is (5-fluoro-2-pyridinyl)-[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (5-fluoro-2-pyridinyl)-[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (5-fluoro-2-pyridinyl)-[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]methanone is CCCn1cnnc1C1CN(C)CC12CCN(C(=O)c1ccc(F)cn1)CC2.
What is the InChIKey of (5-fluoro-2-pyridinyl)-[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is WXQWSYNKQONIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN6O/c1-3-8-27-14-23-24-18(27)16-12-25(2)13-20(16)6-9-26(10-7-20)19(28)17-5-4-15(21)11-22-17/h4-5,11,14,16H,3,6-10,12-13H2,1-2H3.
What are the key properties of (5-fluoro-2-pyridinyl)-[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
(5-fluoro-2-pyridinyl)-[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 386.48 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-pyridinyl)-[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 146069114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).