N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C19H24N6O3 — CID 31520275

IUPACN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCc1nn(C)c2ncc(NC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)cc12
InChIInChI=1S/C19H24N6O3/c1-11-6-4-5-7-19(11)17(27)25(18(28)22-19)10-15(26)21-13-8-14-12(2)23-24(3)16(14)20-9-13/h8-9,11H,4-7,10H2,1-3H3,(H,21,26)(H,22,28)/t11-,19+/m1/s1
InChIKeyGYTQWPYBCZZBNW-WYRIXSBYSA-N
MW384.44 g/mol
LogP1.72
Rot. Bonds3

About N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 31520275) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID31520275
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCc1nn(C)c2ncc(NC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)cc12
InChIInChI=1S/C19H24N6O3/c1-11-6-4-5-7-19(11)17(27)25(18(28)22-19)10-15(26)21-13-8-14-12(2)23-24(3)16(14)20-9-13/h8-9,11H,4-7,10H2,1-3H3,(H,21,26)(H,22,28)/t11-,19+/m1/s1
InChIKeyGYTQWPYBCZZBNW-WYRIXSBYSA-N
XLogP1.72
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 31520275) is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is Cc1nn(C)c2ncc(NC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)cc12.
What is the InChIKey of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is GYTQWPYBCZZBNW-WYRIXSBYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-11-6-4-5-7-19(11)17(27)25(18(28)22-19)10-15(26)21-13-8-14-12(2)23-24(3)16(14)20-9-13/h8-9,11H,4-7,10H2,1-3H3,(H,21,26)(H,22,28)/t11-,19+/m1/s1.
What are the key properties of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 384.44 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 31520275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).