1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane

C20H30N6 — CID 70752815

IUPAC1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
SMILESCC(C)(C)c1cc(CN2CCCC23CCN(c2ncccn2)CC3)[nH]n1
InChIInChI=1S/C20H30N6/c1-19(2,3)17-14-16(23-24-17)15-26-11-4-6-20(26)7-12-25(13-8-20)18-21-9-5-10-22-18/h5,9-10,14H,4,6-8,11-13,15H2,1-3H3,(H,23,24)
InChIKeyVOUVHHDDGIFLQH-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.13
Rot. Bonds3

About 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane

1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane (PubChem CID 70752815) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
PubChem CID70752815
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC Name1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
SMILESCC(C)(C)c1cc(CN2CCCC23CCN(c2ncccn2)CC3)[nH]n1
InChIInChI=1S/C20H30N6/c1-19(2,3)17-14-16(23-24-17)15-26-11-4-6-20(26)7-12-25(13-8-20)18-21-9-5-10-22-18/h5,9-10,14H,4,6-8,11-13,15H2,1-3H3,(H,23,24)
InChIKeyVOUVHHDDGIFLQH-UHFFFAOYSA-N
XLogP3.13
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]quinoxaline
CID 70779960
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CID 70782561
3-(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol
CID 70704715
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CID 95871623
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CID 97481962
1-[(4-fluorophenyl)methyl]-7-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane
CID 131660553
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine
CID 102550641
2,6-ditert-butyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
CID 2837847
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 72904377
1-[(6-tert-butyl-3-pyridinyl)methyl]-1,9-diazaspiro[4.5]decane
CID 166301336
(9aS)-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 56704167
(1S,5R)-6-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 72852497

Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The IUPAC name of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane (CID 70752815) is 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane is CC(C)(C)c1cc(CN2CCCC23CCN(c2ncccn2)CC3)[nH]n1.
What is the InChIKey of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The InChIKey is VOUVHHDDGIFLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c1-19(2,3)17-14-16(23-24-17)15-26-11-4-6-20(26)7-12-25(13-8-20)18-21-9-5-10-22-18/h5,9-10,14H,4,6-8,11-13,15H2,1-3H3,(H,23,24).
What are the key properties of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane has a molecular weight of 354.50 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 70752815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).