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

C32H35N5O4 — CID 139346968

IUPAC1-[[10-hydroxy-7-(1H-indazole-3-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)c3n[nH]c4ccccc34)CC23CCCC3)c(=O)cc1-c1ccccc1
InChIInChI=1S/C32H35N5O4/c1-35(2)29(39)25-19-37(27(38)18-24(25)22-10-4-3-5-11-22)21-32(41)16-17-36(20-31(32)14-8-9-15-31)30(40)28-23-12-6-7-13-26(23)33-34-28/h3-7,10-13,18-19,41H,8-9,14-17,20-21H2,1-2H3,(H,33,34)
InChIKeyBNCTZIXWRHFQSM-UHFFFAOYSA-N
MW553.66 g/mol
LogP3.93
Rot. Bonds5

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

1-[[10-hydroxy-7-(1H-indazole-3-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide (PubChem CID 139346968) has the molecular formula C32H35N5O4 and a molecular weight of 553.66 g/mol. Its IUPAC name is 1-[[10-hydroxy-7-(1H-indazole-3-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-(1H-indazole-3-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
PubChem CID139346968
Molecular FormulaC32H35N5O4
Molecular Weight553.66 g/mol
Exact Mass553.27
IUPAC Name1-[[10-hydroxy-7-(1H-indazole-3-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)c3n[nH]c4ccccc34)CC23CCCC3)c(=O)cc1-c1ccccc1
InChIInChI=1S/C32H35N5O4/c1-35(2)29(39)25-19-37(27(38)18-24(25)22-10-4-3-5-11-22)21-32(41)16-17-36(20-31(32)14-8-9-15-31)30(40)28-23-12-6-7-13-26(23)33-34-28/h3-7,10-13,18-19,41H,8-9,14-17,20-21H2,1-2H3,(H,33,34)
InChIKeyBNCTZIXWRHFQSM-UHFFFAOYSA-N
XLogP3.93
TPSA111.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.66
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(1H-indazol-3-yl)ethane-1,2-dione
CID 6481410
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
cyclopentyl-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methanone
CID 38391854
US11053213, Example 187
CID 139347283
US11053213, Example 189
CID 139346933
1-(1H-indazole-3-carbonyl)-N-phenethylpiperidine-4-carboxamide
CID 42477825
3-{1H,4H,5H-Benzo[G]indazole-3-carbonyl}-9-[(dimethylamino)methyl]-3-azaspiro[5.5]undecan-9-OL
CID 91909489
1H-indazol-3-yl-(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91919081
[4-(diethylamino)-1-oxa-9-azaspiro[5.5]undec-9-yl](1H-indazol-3-yl)methanone
CID 91919111
N-[(1-methyl-2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 91920216
(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 110197287
(4-benzylpiperidin-1-yl)-(1H-indazol-3-yl)methanone
CID 9414347

Frequently Asked Questions

What is the IUPAC name of 1-[[10-hydroxy-7-(1H-indazole-3-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-(1H-indazole-3-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide (CID 139346968) is 1-[[10-hydroxy-7-(1H-indazole-3-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-(1H-indazole-3-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-(1H-indazole-3-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)c3n[nH]c4ccccc34)CC23CCCC3)c(=O)cc1-c1ccccc1.
What is the InChIKey of 1-[[10-hydroxy-7-(1H-indazole-3-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
The InChIKey is BNCTZIXWRHFQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O4/c1-35(2)29(39)25-19-37(27(38)18-24(25)22-10-4-3-5-11-22)21-32(41)16-17-36(20-31(32)14-8-9-15-31)30(40)28-23-12-6-7-13-26(23)33-34-28/h3-7,10-13,18-19,41H,8-9,14-17,20-21H2,1-2H3,(H,33,34).
What are the key properties of 1-[[10-hydroxy-7-(1H-indazole-3-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
1-[[10-hydroxy-7-(1H-indazole-3-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide has a molecular weight of 553.66 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[10-hydroxy-7-(1H-indazole-3-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 139346968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).