N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide

C20H23N7O2 — CID 169113542

IUPACN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1ccc(C2CCC(C)CN2C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)cn1
InChIInChI=1S/C20H23N7O2/c1-11-3-6-16(13-5-4-12(2)22-7-13)27(10-11)20(29)19(28)25-15-9-23-18(21)14-8-24-26-17(14)15/h4-5,7-9,11,16H,3,6,10H2,1-2H3,(H2,21,23)(H,24,26)(H,25,28)
InChIKeyXFLWAQWYKMHHOE-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.18
Rot. Bonds2

About N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide

N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 169113542) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide
PubChem CID169113542
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC NameN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1ccc(C2CCC(C)CN2C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)cn1
InChIInChI=1S/C20H23N7O2/c1-11-3-6-16(13-5-4-12(2)22-7-13)27(10-11)20(29)19(28)25-15-9-23-18(21)14-8-24-26-17(14)15/h4-5,7-9,11,16H,3,6,10H2,1-2H3,(H2,21,23)(H,24,26)(H,25,28)
InChIKeyXFLWAQWYKMHHOE-UHFFFAOYSA-N
XLogP2.18
TPSA129.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,5S)-5-methyl-2-quinolin-6-ylpiperidin-1-yl]-2-oxoacetamide
CID 169114683
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,5S)-2-[4-[(dimethylamino)methyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 169113098
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5S)-5-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoacetamide
CID 169113862
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,5S)-2-[4-[2-[iodo(methyl)amino]ethyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 170067745
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(5-methyl-2-thiophen-2-ylpiperidin-1-yl)-2-oxoacetamide
CID 169113607
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,5S)-2-cyclopropyl-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 169115092
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(1,1,2-trimethyl-3,4-dihydroisoquinolin-6-yl)piperidin-1-yl]-2-oxoacetamide
CID 169113958
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[2-[3-[2-(dimethylamino)ethyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 169114336
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 169114059
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(2-cyclobutyl-5-methylpiperidin-1-yl)-2-oxoacetamide
CID 169113726
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,5S)-5-methyl-2-[1-(trifluoromethyl)cyclopropyl]piperidin-1-yl]-2-oxoacetamide
CID 169114364
N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide
CID 169113136

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide (CID 169113542) is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide is Cc1ccc(C2CCC(C)CN2C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)cn1.
What is the InChIKey of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is XFLWAQWYKMHHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-11-3-6-16(13-5-4-12(2)22-7-13)27(10-11)20(29)19(28)25-15-9-23-18(21)14-8-24-26-17(14)15/h4-5,7-9,11,16H,3,6,10H2,1-2H3,(H2,21,23)(H,24,26)(H,25,28).
What are the key properties of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide?
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 393.45 g/mol, XLogP of 2.18, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169113542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).