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

C20H22N6O2 — CID 169114684

IUPACN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4S)-4-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
SMILESC[C@H]1CCN(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H22N6O2/c1-12-7-8-26(16(9-12)13-5-3-2-4-6-13)20(28)19(27)24-15-11-22-18(21)14-10-23-25-17(14)15/h2-6,10-12,16H,7-9H2,1H3,(H2,21,22)(H,23,25)(H,24,27)/t12-,16+/m0/s1
InChIKeyKXMKAWUERFBVHO-BLLLJJGKSA-N
MW378.44 g/mol
LogP2.48
Rot. Bonds2

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

N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4S)-4-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 169114684) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4S)-4-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4S)-4-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
PubChem CID169114684
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4S)-4-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
SMILESC[C@H]1CCN(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H22N6O2/c1-12-7-8-26(16(9-12)13-5-3-2-4-6-13)20(28)19(27)24-15-11-22-18(21)14-10-23-25-17(14)15/h2-6,10-12,16H,7-9H2,1H3,(H2,21,22)(H,23,25)(H,24,27)/t12-,16+/m0/s1
InChIKeyKXMKAWUERFBVHO-BLLLJJGKSA-N
XLogP2.48
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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)-2-(4-ethyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetamide
CID 169115932
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
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-oxo-2-[(2S)-2-(3-pyrrolidin-1-ylphenyl)piperidin-1-yl]acetamide
CID 169114898
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,5S)-2-cyclopropyl-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 169115092
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,4R,5R)-2-(4-fluorophenyl)-4-methoxy-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 169114847
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(5-methyl-2-thiophen-2-ylpiperidin-1-yl)-2-oxoacetamide
CID 169113607
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-[(2S,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 169114059
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(2-cyclobutyl-5-methylpiperidin-1-yl)-2-oxoacetamide
CID 169113726
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)-5-methyl-2-quinolin-6-ylpiperidin-1-yl]-2-oxoacetamide
CID 169114683

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4S)-4-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4S)-4-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide (CID 169114684) is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4S)-4-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4S)-4-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4S)-4-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide is C[C@H]1CCN(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)[C@@H](c2ccccc2)C1.
What is the InChIKey of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4S)-4-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is KXMKAWUERFBVHO-BLLLJJGKSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-12-7-8-26(16(9-12)13-5-3-2-4-6-13)20(28)19(27)24-15-11-22-18(21)14-10-23-25-17(14)15/h2-6,10-12,16H,7-9H2,1H3,(H2,21,22)(H,23,25)(H,24,27)/t12-,16+/m0/s1.
What are the key properties of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4S)-4-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide?
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4S)-4-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 378.44 g/mol, XLogP of 2.48, 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-[(2R,4S)-4-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169114684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).