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

C34H37N5O4 — CID 166630275

IUPAC1-[[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
SMILESCN(C)C(=O)c1cn(CC2(O)CCN(C(=O)c3cn[nH]c3-c3ccccc3)CC23CCCC3)c(=O)cc1-c1ccccc1
InChIInChI=1S/C34H37N5O4/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/h3-8,11-14,19-21,43H,9-10,15-18,22-23H2,1-2H3,(H,35,36)
InChIKeyMXUQTXHAHNTKPF-UHFFFAOYSA-N
MW579.70 g/mol
LogP4.44
Rot. Bonds6

About 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

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 (PubChem CID 166630275) has the molecular formula C34H37N5O4 and a molecular weight of 579.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[[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
PubChem CID166630275
Molecular FormulaC34H37N5O4
Molecular Weight579.70 g/mol
Exact Mass579.28
IUPAC Name1-[[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
SMILESCN(C)C(=O)c1cn(CC2(O)CCN(C(=O)c3cn[nH]c3-c3ccccc3)CC23CCCC3)c(=O)cc1-c1ccccc1
InChIInChI=1S/C34H37N5O4/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/h3-8,11-14,19-21,43H,9-10,15-18,22-23H2,1-2H3,(H,35,36)
InChIKeyMXUQTXHAHNTKPF-UHFFFAOYSA-N
XLogP4.44
TPSA111.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.70
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

{3-[4-(4-Benzoyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid
CID 44383760
US11053213, Example 67
CID 134218445
US11053213, Example 188
CID 139346968
US11053213, Example 187
CID 139347283
US11053213, Example 189
CID 139346933
N-({1-Methyl-2-oxo-1H,2H,3H,4H,4AH,5H,6H-cyclopenta[B]pyridin-4A-YL}methyl)-3-phenyl-1H-pyrazole-4-carboxamide
CID 91909535
N-Cyclopropyl-N-[9-(3-phenyl-1H-pyrazole-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-YL]acetamide
CID 91919836
(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 124051685
[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 56880751
N-(1-benzylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 71824729
[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 126440960
1-{[5-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}-5-methyl-3-phenylpyrrolidin-3-ol
CID 59170159

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)c3cn[nH]c3-c3ccccc3)CC23CCCC3)c(=O)cc1-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is MXUQTXHAHNTKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N5O4/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/h3-8,11-14,19-21,43H,9-10,15-18,22-23H2,1-2H3,(H,35,36).
What are the key properties of 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?
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 has a molecular weight of 579.70 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166630275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).