N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-4,4-difluoro-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide

C22H24F2N6O2 — CID 164752530

IUPACN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-4,4-difluoro-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCCc1cc(NC(=O)C(=O)N2C[C@@H](C)C(F)(F)C[C@H]2c2ccc3[nH]ncc3c2)cnc1N
InChIInChI=1S/C22H24F2N6O2/c1-3-13-7-16(10-26-19(13)25)28-20(31)21(32)30-11-12(2)22(23,24)8-18(30)14-4-5-17-15(6-14)9-27-29-17/h4-7,9-10,12,18H,3,8,11H2,1-2H3,(H2,25,26)(H,27,29)(H,28,31)/t12-,18+/m1/s1
InChIKeyUQVZSRKZLCYMBJ-XIKOKIGWSA-N
MW442.47 g/mol
LogP3.29
Rot. Bonds3

About N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-4,4-difluoro-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-4,4-difluoro-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 164752530) has the molecular formula C22H24F2N6O2 and a molecular weight of 442.47 g/mol. Its IUPAC name is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-4,4-difluoro-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-4,4-difluoro-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
PubChem CID164752530
Molecular FormulaC22H24F2N6O2
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC NameN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-4,4-difluoro-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCCc1cc(NC(=O)C(=O)N2C[C@@H](C)C(F)(F)C[C@H]2c2ccc3[nH]ncc3c2)cnc1N
InChIInChI=1S/C22H24F2N6O2/c1-3-13-7-16(10-26-19(13)25)28-20(31)21(32)30-11-12(2)22(23,24)8-18(30)14-4-5-17-15(6-14)9-27-29-17/h4-7,9-10,12,18H,3,8,11H2,1-2H3,(H2,25,26)(H,27,29)(H,28,31)/t12-,18+/m1/s1
InChIKeyUQVZSRKZLCYMBJ-XIKOKIGWSA-N
XLogP3.29
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-4,4-difluoro-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide with MolForge

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Related Compounds

N-(6-amino-5-ethyl-3-pyridinyl)-2-[4,4-difluoro-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164752952
N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164750876
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(1H-indazol-6-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164750210
2-[(2S,5R)-2-(4-acetamidophenyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide
CID 166022591
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 165076589
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,4R,5R)-2-(1,3-benzothiazol-5-yl)-4-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164997318
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[(3S)-1-methylpyrrolidin-3-yl]oxyphenyl]piperidin-1-yl]-2-oxoacetamide
CID 176761363
tert-butyl N-[5-[[2-[2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate
CID 164750429
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-(2-ethyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 176910118
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[(3R)-1-methylpyrrolidin-3-yl]phenyl]piperidin-1-yl]-2-oxoacetamide
CID 166022686
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[2-(dimethylamino)ethoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 165060620
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164751984

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-4,4-difluoro-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-4,4-difluoro-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 164752530) is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-4,4-difluoro-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-4,4-difluoro-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-4,4-difluoro-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide is CCc1cc(NC(=O)C(=O)N2C[C@@H](C)C(F)(F)C[C@H]2c2ccc3[nH]ncc3c2)cnc1N.
What is the InChIKey of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-4,4-difluoro-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is UQVZSRKZLCYMBJ-XIKOKIGWSA-N. The full InChI is InChI=1S/C22H24F2N6O2/c1-3-13-7-16(10-26-19(13)25)28-20(31)21(32)30-11-12(2)22(23,24)8-18(30)14-4-5-17-15(6-14)9-27-29-17/h4-7,9-10,12,18H,3,8,11H2,1-2H3,(H2,25,26)(H,27,29)(H,28,31)/t12-,18+/m1/s1.
What are the key properties of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-4,4-difluoro-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-4,4-difluoro-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 442.47 g/mol, XLogP of 3.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-4,4-difluoro-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 164752530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).