1-[(1,3-dimethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane

C20H29N5 — CID 70707936

IUPAC1-[(1,3-dimethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane
SMILESCc1cccc(N2CCC3(CCCN3Cc3cn(C)nc3C)CC2)n1
InChIInChI=1S/C20H29N5/c1-16-6-4-7-19(21-16)24-12-9-20(10-13-24)8-5-11-25(20)15-18-14-23(3)22-17(18)2/h4,6-7,14H,5,8-13,15H2,1-3H3
InChIKeyNKALJFDSRLJBIW-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.07
Rot. Bonds3

About 1-[(1,3-dimethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane

1-[(1,3-dimethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane (PubChem CID 70707936) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane
PubChem CID70707936
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane
SMILESCc1cccc(N2CCC3(CCCN3Cc3cn(C)nc3C)CC2)n1
InChIInChI=1S/C20H29N5/c1-16-6-4-7-19(21-16)24-12-9-20(10-13-24)8-5-11-25(20)15-18-14-23(3)22-17(18)2/h4,6-7,14H,5,8-13,15H2,1-3H3
InChIKeyNKALJFDSRLJBIW-UHFFFAOYSA-N
XLogP3.07
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane?
The IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane (CID 70707936) is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane is Cc1cccc(N2CCC3(CCCN3Cc3cn(C)nc3C)CC2)n1.
What is the InChIKey of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane?
The InChIKey is NKALJFDSRLJBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-16-6-4-7-19(21-16)24-12-9-20(10-13-24)8-5-11-25(20)15-18-14-23(3)22-17(18)2/h4,6-7,14H,5,8-13,15H2,1-3H3.
What are the key properties of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane?
1-[(1,3-dimethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane has a molecular weight of 339.49 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 70707936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).