N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)acetamide

C21H31N7O — CID 167890562

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCC3(CCCN(C)C3)C2)n1
InChIInChI=1S/C21H31N7O/c1-15-10-16(2)23-20(22-15)28-18(11-17(3)25-28)24-19(29)12-27-9-7-21(14-27)6-5-8-26(4)13-21/h10-11H,5-9,12-14H2,1-4H3,(H,24,29)
InChIKeyKZFBNVWYMKZLJP-UHFFFAOYSA-N
MW397.53 g/mol
LogP1.94
Rot. Bonds4

About N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)acetamide

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)acetamide (PubChem CID 167890562) has the molecular formula C21H31N7O and a molecular weight of 397.53 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)acetamide
PubChem CID167890562
Molecular FormulaC21H31N7O
Molecular Weight397.53 g/mol
Exact Mass397.26
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCC3(CCCN(C)C3)C2)n1
InChIInChI=1S/C21H31N7O/c1-15-10-16(2)23-20(22-15)28-18(11-17(3)25-28)24-19(29)12-27-9-7-21(14-27)6-5-8-26(4)13-21/h10-11H,5-9,12-14H2,1-4H3,(H,24,29)
InChIKeyKZFBNVWYMKZLJP-UHFFFAOYSA-N
XLogP1.94
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(9-oxa-2-azaspiro[5.5]undecan-2-yl)acetamide
CID 139004122
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 120773593
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
CID 55838736
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 55995705
N-[1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 55842278
2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 55838315
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 37141496
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(oxan-2-yl)propanamide
CID 56786553
2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78825412
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide
CID 2332242
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide
CID 2359697
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]acetamide
CID 71864592

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)acetamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)acetamide (CID 167890562) is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)acetamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)acetamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)acetamide is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCC3(CCCN(C)C3)C2)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)acetamide?
The InChIKey is KZFBNVWYMKZLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N7O/c1-15-10-16(2)23-20(22-15)28-18(11-17(3)25-28)24-19(29)12-27-9-7-21(14-27)6-5-8-26(4)13-21/h10-11H,5-9,12-14H2,1-4H3,(H,24,29).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)acetamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)acetamide has a molecular weight of 397.53 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)acetamide is sourced from PubChem (CID 167890562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).