N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(2-cyclobutyl-5-methylpiperidin-1-yl)-2-oxoacetamide

C18H24N6O2 — CID 169113726

IUPACN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(2-cyclobutyl-5-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCC(C2CCC2)N(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)C1
InChIInChI=1S/C18H24N6O2/c1-10-5-6-14(11-3-2-4-11)24(9-10)18(26)17(25)22-13-8-20-16(19)12-7-21-23-15(12)13/h7-8,10-11,14H,2-6,9H2,1H3,(H2,19,20)(H,21,23)(H,22,25)
InChIKeyGJJKMOOQMXFXEU-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.91
Rot. Bonds2

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

N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(2-cyclobutyl-5-methylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 169113726) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(2-cyclobutyl-5-methylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(2-cyclobutyl-5-methylpiperidin-1-yl)-2-oxoacetamide
PubChem CID169113726
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(2-cyclobutyl-5-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCC(C2CCC2)N(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)C1
InChIInChI=1S/C18H24N6O2/c1-10-5-6-14(11-3-2-4-11)24(9-10)18(26)17(25)22-13-8-20-16(19)12-7-21-23-15(12)13/h7-8,10-11,14H,2-6,9H2,1H3,(H2,19,20)(H,21,23)(H,22,25)
InChIKeyGJJKMOOQMXFXEU-UHFFFAOYSA-N
XLogP1.91
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(2-cyclobutyl-5-methylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(2-cyclobutyl-5-methylpiperidin-1-yl)-2-oxoacetamide (CID 169113726) is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(2-cyclobutyl-5-methylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(2-cyclobutyl-5-methylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(2-cyclobutyl-5-methylpiperidin-1-yl)-2-oxoacetamide is CC1CCC(C2CCC2)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-(2-cyclobutyl-5-methylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is GJJKMOOQMXFXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-10-5-6-14(11-3-2-4-11)24(9-10)18(26)17(25)22-13-8-20-16(19)12-7-21-23-15(12)13/h7-8,10-11,14H,2-6,9H2,1H3,(H2,19,20)(H,21,23)(H,22,25).
What are the key properties of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(2-cyclobutyl-5-methylpiperidin-1-yl)-2-oxoacetamide?
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(2-cyclobutyl-5-methylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 356.43 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(2-cyclobutyl-5-methylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 169113726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).