1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane

C20H30N6 — CID 70779935

IUPAC1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
SMILESCCCn1ncc(CN2CCCC23CCN(c2ncccn2)CC3)c1C
InChIInChI=1S/C20H30N6/c1-3-11-26-17(2)18(15-23-26)16-25-12-4-6-20(25)7-13-24(14-8-20)19-21-9-5-10-22-19/h5,9-10,15H,3-4,6-8,11-14,16H2,1-2H3
InChIKeyHYFIBNINPNWOLJ-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.03
Rot. Bonds5

About 1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane

1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane (PubChem CID 70779935) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
PubChem CID70779935
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC Name1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
SMILESCCCn1ncc(CN2CCCC23CCN(c2ncccn2)CC3)c1C
InChIInChI=1S/C20H30N6/c1-3-11-26-17(2)18(15-23-26)16-25-12-4-6-20(25)7-13-24(14-8-20)19-21-9-5-10-22-19/h5,9-10,15H,3-4,6-8,11-14,16H2,1-2H3
InChIKeyHYFIBNINPNWOLJ-UHFFFAOYSA-N
XLogP3.03
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The IUPAC name of 1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane (CID 70779935) is 1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane is CCCn1ncc(CN2CCCC23CCN(c2ncccn2)CC3)c1C.
What is the InChIKey of 1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The InChIKey is HYFIBNINPNWOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c1-3-11-26-17(2)18(15-23-26)16-25-12-4-6-20(25)7-13-24(14-8-20)19-21-9-5-10-22-19/h5,9-10,15H,3-4,6-8,11-14,16H2,1-2H3.
What are the key properties of 1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane has a molecular weight of 354.50 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 70779935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).