8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane

C18H24N4O2 — CID 71922524

IUPAC8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1cc(C)n(-c2ccc(N3CCC4(CC3)OCC(C)O4)nc2)n1
InChIInChI=1S/C18H24N4O2/c1-13-10-14(2)22(20-13)16-4-5-17(19-11-16)21-8-6-18(7-9-21)23-12-15(3)24-18/h4-5,10-11,15H,6-9,12H2,1-3H3
InChIKeyLQXPKJZTGRXWER-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.62
Rot. Bonds2

About 8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane

8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 71922524) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID71922524
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1cc(C)n(-c2ccc(N3CCC4(CC3)OCC(C)O4)nc2)n1
InChIInChI=1S/C18H24N4O2/c1-13-10-14(2)22(20-13)16-4-5-17(19-11-16)21-8-6-18(7-9-21)23-12-15(3)24-18/h4-5,10-11,15H,6-9,12H2,1-3H3
InChIKeyLQXPKJZTGRXWER-UHFFFAOYSA-N
XLogP2.62
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

8-[(5-Pyridin-3-ylpyrazol-1-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 56822822
8-[5-(3,5-Dimethylpyrazol-1-yl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 71925336
1-[5-(3,5-Dimethylpyrazol-1-yl)-2-pyridinyl]piperidin-4-ol
CID 72112171
4-(1-Methylpyrazol-4-yl)-8-(6-methyl-2-pyridinyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118744335
8-(4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 49667576
8-[2-(2,4-Dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 53333650
6-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine
CID 119948640
(2E,4Z)-3-[1-[6-[4-(3-fluorocyclobutyl)oxypiperidin-1-yl]-3-pyridinyl]pyrazol-3-yl]-N-methylhexa-2,4-dien-2-amine
CID 178157106
8-[2-(4-Fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 53333617
7-[2-Pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dioxa-7-azaspiro[4.4]nonane
CID 133293312
8-(2-Methyl-6-pyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 4114575
8-(6-Methyl[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 5303754

Frequently Asked Questions

What is the IUPAC name of 8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 71922524) is 8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane is Cc1cc(C)n(-c2ccc(N3CCC4(CC3)OCC(C)O4)nc2)n1.
What is the InChIKey of 8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is LQXPKJZTGRXWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-10-14(2)22(20-13)16-4-5-17(19-11-16)21-8-6-18(7-9-21)23-12-15(3)24-18/h4-5,10-11,15H,6-9,12H2,1-3H3.
What are the key properties of 8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 328.42 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 71922524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).