N-[[2-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide

C24H28N6O3 — CID 166329170

IUPACN-[[2-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)N3CC4(CCOCC4)CC3CNC(=O)c3cccnc3)cc12
InChIInChI=1S/C24H28N6O3/c1-16-20-10-18(13-26-21(20)29(2)28-16)23(32)30-15-24(5-8-33-9-6-24)11-19(30)14-27-22(31)17-4-3-7-25-12-17/h3-4,7,10,12-13,19H,5-6,8-9,11,14-15H2,1-2H3,(H,27,31)
InChIKeyTYDCHPYLZUYBIE-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.11
Rot. Bonds4

About N-[[2-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide

N-[[2-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 166329170) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[[2-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide
PubChem CID166329170
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC NameN-[[2-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)N3CC4(CCOCC4)CC3CNC(=O)c3cccnc3)cc12
InChIInChI=1S/C24H28N6O3/c1-16-20-10-18(13-26-21(20)29(2)28-16)23(32)30-15-24(5-8-33-9-6-24)11-19(30)14-27-22(31)17-4-3-7-25-12-17/h3-4,7,10,12-13,19H,5-6,8-9,11,14-15H2,1-2H3,(H,27,31)
InChIKeyTYDCHPYLZUYBIE-UHFFFAOYSA-N
XLogP2.11
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[2-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[[2-(4-hydroxy-1-benzothiophene-6-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide
CID 167759370
N-[[2-(4-chloro-3-hydroxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyrimidine-5-carboxamide
CID 166328201
N-[[2-(2H-benzotriazole-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 166423499
N-[[2-[3-fluoro-4-(hydroxymethyl)benzoyl]-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1-methyl-6-oxopyrimidine-5-carboxamide
CID 166434529
N-[[2-(2H-benzotriazole-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 167893388
1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119430925
5-methyl-N-[[2-(1-oxo-2H-isoquinoline-3-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrazole-4-carboxamide
CID 167749623
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543986
(3R)-2-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95872736
[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 94643423
N-[[(7S)-2-methyl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyridine-3-carboxamide
CID 124813942
1,3-dimethyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 39485235

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[2-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide (CID 166329170) is N-[[2-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[2-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide is Cc1nn(C)c2ncc(C(=O)N3CC4(CCOCC4)CC3CNC(=O)c3cccnc3)cc12.
What is the InChIKey of N-[[2-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is TYDCHPYLZUYBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-16-20-10-18(13-26-21(20)29(2)28-16)23(32)30-15-24(5-8-33-9-6-24)11-19(30)14-27-22(31)17-4-3-7-25-12-17/h3-4,7,10,12-13,19H,5-6,8-9,11,14-15H2,1-2H3,(H,27,31).
What are the key properties of N-[[2-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide?
N-[[2-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 166329170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).