N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,5S)-5-methyl-2-quinolin-6-ylpiperidin-1-yl]-2-oxoacetamide

C23H23N7O2 — CID 169114683

IUPACN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,5S)-5-methyl-2-quinolin-6-ylpiperidin-1-yl]-2-oxoacetamide
SMILESC[C@H]1CC[C@H](c2ccc3ncccc3c2)N(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)C1
InChIInChI=1S/C23H23N7O2/c1-13-4-7-19(15-5-6-17-14(9-15)3-2-8-25-17)30(12-13)23(32)22(31)28-18-11-26-21(24)16-10-27-29-20(16)18/h2-3,5-6,8-11,13,19H,4,7,12H2,1H3,(H2,24,26)(H,27,29)(H,28,31)/t13-,19+/m0/s1
InChIKeyQSPAZWXBSLWXJI-ORAYPTAESA-N
MW429.48 g/mol
LogP3.03
Rot. Bonds2

About N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,5S)-5-methyl-2-quinolin-6-ylpiperidin-1-yl]-2-oxoacetamide

N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,5S)-5-methyl-2-quinolin-6-ylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 169114683) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,5S)-5-methyl-2-quinolin-6-ylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,5S)-5-methyl-2-quinolin-6-ylpiperidin-1-yl]-2-oxoacetamide
PubChem CID169114683
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC NameN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,5S)-5-methyl-2-quinolin-6-ylpiperidin-1-yl]-2-oxoacetamide
SMILESC[C@H]1CC[C@H](c2ccc3ncccc3c2)N(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)C1
InChIInChI=1S/C23H23N7O2/c1-13-4-7-19(15-5-6-17-14(9-15)3-2-8-25-17)30(12-13)23(32)22(31)28-18-11-26-21(24)16-10-27-29-20(16)18/h2-3,5-6,8-11,13,19H,4,7,12H2,1H3,(H2,24,26)(H,27,29)(H,28,31)/t13-,19+/m0/s1
InChIKeyQSPAZWXBSLWXJI-ORAYPTAESA-N
XLogP3.03
TPSA129.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.03
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)-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-[(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-[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-[5-methyl-2-(1,1,2-trimethyl-3,4-dihydroisoquinolin-6-yl)piperidin-1-yl]-2-oxoacetamide
CID 169113958
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-[2-[iodo(methyl)amino]ethyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 170067745
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-[(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,5S)-5-methyl-2-[1-(trifluoromethyl)cyclopropyl]piperidin-1-yl]-2-oxoacetamide
CID 169114364
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,4S)-4-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
CID 169114684
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-(4-ethyl-5-methyl-2-phenylpiperazin-1-yl)-2-oxoacetamide
CID 169115932

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,5S)-5-methyl-2-quinolin-6-ylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of 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) is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,5S)-5-methyl-2-quinolin-6-ylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,5S)-5-methyl-2-quinolin-6-ylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,5S)-5-methyl-2-quinolin-6-ylpiperidin-1-yl]-2-oxoacetamide is C[C@H]1CC[C@H](c2ccc3ncccc3c2)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-[(2R,5S)-5-methyl-2-quinolin-6-ylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is QSPAZWXBSLWXJI-ORAYPTAESA-N. The full InChI is InChI=1S/C23H23N7O2/c1-13-4-7-19(15-5-6-17-14(9-15)3-2-8-25-17)30(12-13)23(32)22(31)28-18-11-26-21(24)16-10-27-29-20(16)18/h2-3,5-6,8-11,13,19H,4,7,12H2,1H3,(H2,24,26)(H,27,29)(H,28,31)/t13-,19+/m0/s1.
What are the key properties of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,5S)-5-methyl-2-quinolin-6-ylpiperidin-1-yl]-2-oxoacetamide?
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,5S)-5-methyl-2-quinolin-6-ylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 429.48 g/mol, XLogP of 3.03, 2 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-[(2R,5S)-5-methyl-2-quinolin-6-ylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169114683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).