N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-[(3-methyl-2-pyridinyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide

C21H20N8O2 — CID 169112133

IUPACN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-[(3-methyl-2-pyridinyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide
SMILESCc1cccnc1CN(Cc1ccccn1)C(=O)C(=O)Nc1cnc(N)c2cn[nH]c12
InChIInChI=1S/C21H20N8O2/c1-13-5-4-8-24-17(13)12-29(11-14-6-2-3-7-23-14)21(31)20(30)27-16-10-25-19(22)15-9-26-28-18(15)16/h2-10H,11-12H2,1H3,(H2,22,25)(H,26,28)(H,27,30)
InChIKeyOUDMBNGMZISPEU-UHFFFAOYSA-N
MW416.45 g/mol
LogP1.81
Rot. Bonds5

About N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-[(3-methyl-2-pyridinyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide

N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-[(3-methyl-2-pyridinyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide (PubChem CID 169112133) has the molecular formula C21H20N8O2 and a molecular weight of 416.45 g/mol. Its IUPAC name is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-[(3-methyl-2-pyridinyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-[(3-methyl-2-pyridinyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide
PubChem CID169112133
Molecular FormulaC21H20N8O2
Molecular Weight416.45 g/mol
Exact Mass416.17
IUPAC NameN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-[(3-methyl-2-pyridinyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide
SMILESCc1cccnc1CN(Cc1ccccn1)C(=O)C(=O)Nc1cnc(N)c2cn[nH]c12
InChIInChI=1S/C21H20N8O2/c1-13-5-4-8-24-17(13)12-29(11-14-6-2-3-7-23-14)21(31)20(30)27-16-10-25-19(22)15-9-26-28-18(15)16/h2-10H,11-12H2,1H3,(H2,22,25)(H,26,28)(H,27,30)
InChIKeyOUDMBNGMZISPEU-UHFFFAOYSA-N
XLogP1.81
TPSA142.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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)-N'-[(4-fluorophenyl)methyl]-N'-[(3-methyl-2-pyridinyl)methyl]oxamide
CID 169112030
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-[(5,6-dichlorocyclohexa-1,5-dien-1-yl)methyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 169111254
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-[(3-chloro-2-pyridinyl)methyl]-N'-[(4-fluorophenyl)methyl]oxamide
CID 170194740
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-benzyl-N'-[(Z)-2-(dimethylamino)but-2-enyl]oxamide
CID 170197382
N-(4,6-diamino-5-methanimidoyl-3-pyridinyl)-N',N'-bis(pyridin-2-ylmethyl)oxamide
CID 169112049
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-benzyl-N'-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]oxamide
CID 169111906
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-methyl-N'-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide;hydrochloride
CID 174057204
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(4-ethyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetamide
CID 169115932
5-amino-N-methyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 43565776
4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]benzamide
CID 86870098
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
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

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-[(3-methyl-2-pyridinyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-[(3-methyl-2-pyridinyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide (CID 169112133) is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-[(3-methyl-2-pyridinyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-[(3-methyl-2-pyridinyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-[(3-methyl-2-pyridinyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide is Cc1cccnc1CN(Cc1ccccn1)C(=O)C(=O)Nc1cnc(N)c2cn[nH]c12.
What is the InChIKey of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-[(3-methyl-2-pyridinyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide?
The InChIKey is OUDMBNGMZISPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O2/c1-13-5-4-8-24-17(13)12-29(11-14-6-2-3-7-23-14)21(31)20(30)27-16-10-25-19(22)15-9-26-28-18(15)16/h2-10H,11-12H2,1H3,(H2,22,25)(H,26,28)(H,27,30).
What are the key properties of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-[(3-methyl-2-pyridinyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide?
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-[(3-methyl-2-pyridinyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide has a molecular weight of 416.45 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-[(3-methyl-2-pyridinyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 169112133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).