N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-benzyl-N'-[(Z)-2-(dimethylamino)but-2-enyl]oxamide

C21H25N7O2 — CID 170197382

IUPACN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-benzyl-N'-[(Z)-2-(dimethylamino)but-2-enyl]oxamide
SMILESC/C=C(/CN(Cc1ccccc1)C(=O)C(=O)Nc1cnc(N)c2cn[nH]c12)N(C)C
InChIInChI=1S/C21H25N7O2/c1-4-15(27(2)3)13-28(12-14-8-6-5-7-9-14)21(30)20(29)25-17-11-23-19(22)16-10-24-26-18(16)17/h4-11H,12-13H2,1-3H3,(H2,22,23)(H,24,26)(H,25,29)/b15-4-
InChIKeyHHOHUUUOXJAUPE-TVPGTPATSA-N
MW407.48 g/mol
LogP1.97
Rot. Bonds6

About N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-benzyl-N'-[(Z)-2-(dimethylamino)but-2-enyl]oxamide

N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-benzyl-N'-[(Z)-2-(dimethylamino)but-2-enyl]oxamide (PubChem CID 170197382) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-benzyl-N'-[(Z)-2-(dimethylamino)but-2-enyl]oxamide.

Molecular Properties

Compound NameN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-benzyl-N'-[(Z)-2-(dimethylamino)but-2-enyl]oxamide
PubChem CID170197382
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC NameN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-benzyl-N'-[(Z)-2-(dimethylamino)but-2-enyl]oxamide
SMILESC/C=C(/CN(Cc1ccccc1)C(=O)C(=O)Nc1cnc(N)c2cn[nH]c12)N(C)C
InChIInChI=1S/C21H25N7O2/c1-4-15(27(2)3)13-28(12-14-8-6-5-7-9-14)21(30)20(29)25-17-11-23-19(22)16-10-24-26-18(16)17/h4-11H,12-13H2,1-3H3,(H2,22,23)(H,24,26)(H,25,29)/b15-4-
InChIKeyHHOHUUUOXJAUPE-TVPGTPATSA-N
XLogP1.97
TPSA120.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 51.97
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)-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'-[(4-fluorophenyl)methyl]-N'-[(3-methyl-2-pyridinyl)methyl]oxamide
CID 169112030
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'-[(3-methyl-2-pyridinyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 169112133
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)acetamide;N-benzyl-N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]formamide
CID 169111855
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-benzyl-N'-[[6-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[6-(trifluoromethyl)-2-pyridinyl]methyl]oxamide
CID 174057206
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-[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-(4-ethyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetamide
CID 169115932
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-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoacetamide
CID 169114768
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

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-benzyl-N'-[(Z)-2-(dimethylamino)but-2-enyl]oxamide?
The IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-benzyl-N'-[(Z)-2-(dimethylamino)but-2-enyl]oxamide (CID 170197382) is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-benzyl-N'-[(Z)-2-(dimethylamino)but-2-enyl]oxamide.
What is the SMILES notation for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-benzyl-N'-[(Z)-2-(dimethylamino)but-2-enyl]oxamide?
The canonical SMILES for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-benzyl-N'-[(Z)-2-(dimethylamino)but-2-enyl]oxamide is C/C=C(/CN(Cc1ccccc1)C(=O)C(=O)Nc1cnc(N)c2cn[nH]c12)N(C)C.
What is the InChIKey of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-benzyl-N'-[(Z)-2-(dimethylamino)but-2-enyl]oxamide?
The InChIKey is HHOHUUUOXJAUPE-TVPGTPATSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-4-15(27(2)3)13-28(12-14-8-6-5-7-9-14)21(30)20(29)25-17-11-23-19(22)16-10-24-26-18(16)17/h4-11H,12-13H2,1-3H3,(H2,22,23)(H,24,26)(H,25,29)/b15-4-.
What are the key properties of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-benzyl-N'-[(Z)-2-(dimethylamino)but-2-enyl]oxamide?
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-benzyl-N'-[(Z)-2-(dimethylamino)but-2-enyl]oxamide has a molecular weight of 407.48 g/mol, XLogP of 1.97, 6 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)-N'-benzyl-N'-[(Z)-2-(dimethylamino)but-2-enyl]oxamide is sourced from PubChem (CID 170197382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).