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

C17H20N8O2 — CID 169113862

IUPACN-(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
SMILESC[C@H]1CC[C@@H](c2ccn[nH]2)N(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)C1
InChIInChI=1S/C17H20N8O2/c1-9-2-3-13(11-4-5-20-23-11)25(8-9)17(27)16(26)22-12-7-19-15(18)10-6-21-24-14(10)12/h4-7,9,13H,2-3,8H2,1H3,(H2,18,19)(H,20,23)(H,21,24)(H,22,26)/t9-,13-/m0/s1
InChIKeyVUXXZDBLNATQGR-ZANVPECISA-N
MW368.40 g/mol
LogP1.20
Rot. Bonds2

About 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

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 (PubChem CID 169113862) has the molecular formula C17H20N8O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID169113862
Molecular FormulaC17H20N8O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC NameN-(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
SMILESC[C@H]1CC[C@@H](c2ccn[nH]2)N(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)C1
InChIInChI=1S/C17H20N8O2/c1-9-2-3-13(11-4-5-20-23-11)25(8-9)17(27)16(26)22-12-7-19-15(18)10-6-21-24-14(10)12/h4-7,9,13H,2-3,8H2,1H3,(H2,18,19)(H,20,23)(H,21,24)(H,22,26)/t9-,13-/m0/s1
InChIKeyVUXXZDBLNATQGR-ZANVPECISA-N
XLogP1.20
TPSA145.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H]1CC[C@@H](c2ccn[nH]2)N(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)C1.
What is the InChIKey of 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?
The InChIKey is VUXXZDBLNATQGR-ZANVPECISA-N. The full InChI is InChI=1S/C17H20N8O2/c1-9-2-3-13(11-4-5-20-23-11)25(8-9)17(27)16(26)22-12-7-19-15(18)10-6-21-24-14(10)12/h4-7,9,13H,2-3,8H2,1H3,(H2,18,19)(H,20,23)(H,21,24)(H,22,26)/t9-,13-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 368.40 g/mol, XLogP of 1.20, 2 rotatable bonds, 4 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-[(2S,5S)-5-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169113862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).