N-(8-acetyl-8-azaspiro[4.5]decan-3-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

C19H25N5O2 — CID 166379175

IUPACN-(8-acetyl-8-azaspiro[4.5]decan-3-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(=O)N1CCC2(CCC(NC(=O)c3cnc4n[nH]c(C)c4c3)C2)CC1
InChIInChI=1S/C19H25N5O2/c1-12-16-9-14(11-20-17(16)23-22-12)18(26)21-15-3-4-19(10-15)5-7-24(8-6-19)13(2)25/h9,11,15H,3-8,10H2,1-2H3,(H,21,26)(H,20,22,23)
InChIKeyJSTHMTXMPMKNHI-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.18
Rot. Bonds2

About N-(8-acetyl-8-azaspiro[4.5]decan-3-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-(8-acetyl-8-azaspiro[4.5]decan-3-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 166379175) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(8-acetyl-8-azaspiro[4.5]decan-3-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(8-acetyl-8-azaspiro[4.5]decan-3-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID166379175
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-(8-acetyl-8-azaspiro[4.5]decan-3-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(=O)N1CCC2(CCC(NC(=O)c3cnc4n[nH]c(C)c4c3)C2)CC1
InChIInChI=1S/C19H25N5O2/c1-12-16-9-14(11-20-17(16)23-22-12)18(26)21-15-3-4-19(10-15)5-7-24(8-6-19)13(2)25/h9,11,15H,3-8,10H2,1-2H3,(H,21,26)(H,20,22,23)
InChIKeyJSTHMTXMPMKNHI-UHFFFAOYSA-N
XLogP2.18
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(8-acetyl-8-azaspiro[4.5]decan-3-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

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CID 119429140
3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
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3-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
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3-methyl-N-(2-piperazin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
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CID 119568411
N-methyl-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)azetidine-3-carboxamide
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CID 119575921
[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
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N-[[1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(8-acetyl-8-azaspiro[4.5]decan-3-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(8-acetyl-8-azaspiro[4.5]decan-3-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 166379175) is N-(8-acetyl-8-azaspiro[4.5]decan-3-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(8-acetyl-8-azaspiro[4.5]decan-3-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(8-acetyl-8-azaspiro[4.5]decan-3-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is CC(=O)N1CCC2(CCC(NC(=O)c3cnc4n[nH]c(C)c4c3)C2)CC1.
What is the InChIKey of N-(8-acetyl-8-azaspiro[4.5]decan-3-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is JSTHMTXMPMKNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-12-16-9-14(11-20-17(16)23-22-12)18(26)21-15-3-4-19(10-15)5-7-24(8-6-19)13(2)25/h9,11,15H,3-8,10H2,1-2H3,(H,21,26)(H,20,22,23).
What are the key properties of N-(8-acetyl-8-azaspiro[4.5]decan-3-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-(8-acetyl-8-azaspiro[4.5]decan-3-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-acetyl-8-azaspiro[4.5]decan-3-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 166379175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).