1-[[7-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide

C34H43N5O4 — CID 139346933

IUPAC1-[[7-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cn(CC2(O)CCN(C(=O)c3cn[nH]c3C3CCCCC3)CC23CCCC3)c(=O)cc1-c1ccccc1
InChIInChI=1S/C34H43N5O4/c1-37(2)31(41)28-21-39(29(40)19-26(28)24-11-5-3-6-12-24)23-34(43)17-18-38(22-33(34)15-9-10-16-33)32(42)27-20-35-36-30(27)25-13-7-4-8-14-25/h3,5-6,11-12,19-21,25,43H,4,7-10,13-18,22-23H2,1-2H3,(H,35,36)
InChIKeyGKXPSFMJISFYNK-UHFFFAOYSA-N
MW585.75 g/mol
LogP4.83
Rot. Bonds6

About 1-[[7-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide

1-[[7-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide (PubChem CID 139346933) has the molecular formula C34H43N5O4 and a molecular weight of 585.75 g/mol. Its IUPAC name is 1-[[7-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-[[7-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
PubChem CID139346933
Molecular FormulaC34H43N5O4
Molecular Weight585.75 g/mol
Exact Mass585.33
IUPAC Name1-[[7-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cn(CC2(O)CCN(C(=O)c3cn[nH]c3C3CCCCC3)CC23CCCC3)c(=O)cc1-c1ccccc1
InChIInChI=1S/C34H43N5O4/c1-37(2)31(41)28-21-39(29(40)19-26(28)24-11-5-3-6-12-24)23-34(43)17-18-38(22-33(34)15-9-10-16-33)32(42)27-20-35-36-30(27)25-13-7-4-8-14-25/h3,5-6,11-12,19-21,25,43H,4,7-10,13-18,22-23H2,1-2H3,(H,35,36)
InChIKeyGKXPSFMJISFYNK-UHFFFAOYSA-N
XLogP4.83
TPSA111.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.75
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[7-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide with MolForge

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Related Compounds

{3-[4-(4-Benzoyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid
CID 44383760
1-[[10-hydroxy-7-(5-phenyl-1H-pyrazole-4-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 166630275
US11053213, Example 67
CID 134218445
US11053213, Example 188
CID 139346968
US11053213, Example 187
CID 139347283
[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 50967395
[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 126440960
(5-cyclohexyl-1H-pyrazol-4-yl)-[(4R)-4-[[4-(2-fluorophenyl)-2H-pyrimidin-1-yl]methyl]-4-hydroxy-3,3-dimethylpiperidin-1-yl]methanone
CID 175705603
[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 42097862
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]methanone
CID 70760584
(5-cyclohexyl-1H-pyrazol-4-yl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 70773171
[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 70778859

Frequently Asked Questions

What is the IUPAC name of 1-[[7-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
The IUPAC name of 1-[[7-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide (CID 139346933) is 1-[[7-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide.
What is the SMILES notation for 1-[[7-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
The canonical SMILES for 1-[[7-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide is CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)c3cn[nH]c3C3CCCCC3)CC23CCCC3)c(=O)cc1-c1ccccc1.
What is the InChIKey of 1-[[7-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
The InChIKey is GKXPSFMJISFYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N5O4/c1-37(2)31(41)28-21-39(29(40)19-26(28)24-11-5-3-6-12-24)23-34(43)17-18-38(22-33(34)15-9-10-16-33)32(42)27-20-35-36-30(27)25-13-7-4-8-14-25/h3,5-6,11-12,19-21,25,43H,4,7-10,13-18,22-23H2,1-2H3,(H,35,36).
What are the key properties of 1-[[7-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
1-[[7-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide has a molecular weight of 585.75 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[7-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 139346933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).