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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Related Compounds

2-(4-{1-[3-(1H-pyrazol-1-yl)propyl]-3-pyrrolidinyl}-1-piperidinyl)pyrimidine
CID 45250907
1'-[4-(3-methyl-1H-pyrazol-1-yl)pyrimidin-2-yl]-1,4'-bipiperidine
CID 49813954
5-isopropyl-7-{4-[(4-methyl-1H-pyrazol-1-yl)methyl]-1-piperidinyl}pyrazolo[1,5-a]pyrimidine
CID 56895804
2-[3-(4-Cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-methylpyrimidine
CID 84596266
8-[(1-Methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97396972
Dimethyl[(2-{1-[(1,3,5-trimethylpyrazol-4-YL)methyl]pyrrolidin-2-YL}pyrimidin-4-YL)methyl]amine
CID 110117141
Dimethyl[(2-{1-[(1-propylpyrazol-4-YL)methyl]pyrrolidin-2-YL}pyrimidin-4-YL)methyl]amine
CID 110117217
6,6-Difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 118745916
N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]cyclopropanamine
CID 91777622
1-[4-(4-Pyrimidin-2-ylpiperazin-1-yl)butyl]-4,5,6,7-tetrahydroindazole
CID 14726862
1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-propyl-4H-1,2,4-triazol-3-yl)piperidine
CID 53192762
1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-propyl-4H-1,2,4-triazol-3-yl)piperidine
CID 53192763

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).