N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(4-ethyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetamide

C21H25N7O2 — CID 169115932

IUPACN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(4-ethyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetamide
SMILESCCN1CC(c2ccccc2)N(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)CC1C
InChIInChI=1S/C21H25N7O2/c1-3-27-12-17(14-7-5-4-6-8-14)28(11-13(27)2)21(30)20(29)25-16-10-23-19(22)15-9-24-26-18(15)16/h4-10,13,17H,3,11-12H2,1-2H3,(H2,22,23)(H,24,26)(H,25,29)
InChIKeyMMXFZNDFCGFVPA-UHFFFAOYSA-N
MW407.48 g/mol
LogP1.77
Rot. Bonds3

About N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(4-ethyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetamide

N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(4-ethyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetamide (PubChem CID 169115932) 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)-2-(4-ethyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(4-ethyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetamide
PubChem CID169115932
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC NameN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(4-ethyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetamide
SMILESCCN1CC(c2ccccc2)N(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)CC1C
InChIInChI=1S/C21H25N7O2/c1-3-27-12-17(14-7-5-4-6-8-14)28(11-13(27)2)21(30)20(29)25-16-10-23-19(22)15-9-24-26-18(15)16/h4-10,13,17H,3,11-12H2,1-2H3,(H2,22,23)(H,24,26)(H,25,29)
InChIKeyMMXFZNDFCGFVPA-UHFFFAOYSA-N
XLogP1.77
TPSA120.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(4-ethyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(4-ethyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetamide (CID 169115932) is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(4-ethyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(4-ethyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(4-ethyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetamide is CCN1CC(c2ccccc2)N(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)CC1C.
What is the InChIKey of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(4-ethyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetamide?
The InChIKey is MMXFZNDFCGFVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-3-27-12-17(14-7-5-4-6-8-14)28(11-13(27)2)21(30)20(29)25-16-10-23-19(22)15-9-24-26-18(15)16/h4-10,13,17H,3,11-12H2,1-2H3,(H2,22,23)(H,24,26)(H,25,29).
What are the key properties of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(4-ethyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetamide?
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(4-ethyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetamide has a molecular weight of 407.48 g/mol, XLogP of 1.77, 3 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-(4-ethyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 169115932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).