N-(2-amino-2-methylpropyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide

C15H23N5O2 — CID 119626783

IUPACN-(2-amino-2-methylpropyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
SMILESCc1nc2c(c(C)c1CC(=O)NCC(C)(C)N)c(=O)[nH]n2C
InChIInChI=1S/C15H23N5O2/c1-8-10(6-11(21)17-7-15(3,4)16)9(2)18-13-12(8)14(22)19-20(13)5/h6-7,16H2,1-5H3,(H,17,21)(H,19,22)
InChIKeyVJWCGYYNYGNFGB-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.27
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide

N-(2-amino-2-methylpropyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide (PubChem CID 119626783) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
PubChem CID119626783
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-(2-amino-2-methylpropyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
SMILESCc1nc2c(c(C)c1CC(=O)NCC(C)(C)N)c(=O)[nH]n2C
InChIInChI=1S/C15H23N5O2/c1-8-10(6-11(21)17-7-15(3,4)16)9(2)18-13-12(8)14(22)19-20(13)5/h6-7,16H2,1-5H3,(H,17,21)(H,19,22)
InChIKeyVJWCGYYNYGNFGB-UHFFFAOYSA-N
XLogP0.27
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2,3-dimethylbutyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 111484183
N-(4-aminocyclohexyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 119475374
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 120945697
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 119525761
N-(oxetan-3-yl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 155953615
N-(2-pyrrolidin-3-ylethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 119534402
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 120891417
3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoic acid
CID 39869734
N-(2-aminopropyl)-N-methyl-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 167784449
4-methyl-4-[3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoylamino]pentanoic acid
CID 119357388
1,4,6-trimethyl-5-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one
CID 95317475
1,4,6-trimethyl-5-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one
CID 119649361

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide (CID 119626783) is N-(2-amino-2-methylpropyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide is Cc1nc2c(c(C)c1CC(=O)NCC(C)(C)N)c(=O)[nH]n2C.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
The InChIKey is VJWCGYYNYGNFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-8-10(6-11(21)17-7-15(3,4)16)9(2)18-13-12(8)14(22)19-20(13)5/h6-7,16H2,1-5H3,(H,17,21)(H,19,22).
What are the key properties of N-(2-amino-2-methylpropyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
N-(2-amino-2-methylpropyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide has a molecular weight of 305.38 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide is sourced from PubChem (CID 119626783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).