N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-[(2R,5S)-5-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]piperidin-1-yl]-2-oxoacetamide

C26H34N8O2 — CID 169113669

IUPACN-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-[(2R,5S)-5-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]piperidin-1-yl]-2-oxoacetamide
SMILESC[C@H]1CC[C@H](c2ccc(N3CCN(C)CC3)cc2)N(C(=O)C(=O)Nc2cnc(N)c3c2cnn3C)C1
InChIInChI=1S/C26H34N8O2/c1-17-4-9-22(18-5-7-19(8-6-18)33-12-10-31(2)11-13-33)34(16-17)26(36)25(35)30-21-15-28-24(27)23-20(21)14-29-32(23)3/h5-8,14-15,17,22H,4,9-13,16H2,1-3H3,(H2,27,28)(H,30,35)/t17-,22+/m0/s1
InChIKeyRKZBFJPEVUGSAZ-HTAPYJJXSA-N
MW490.61 g/mol
LogP2.24
Rot. Bonds3

About N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-[(2R,5S)-5-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]piperidin-1-yl]-2-oxoacetamide

N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-[(2R,5S)-5-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]piperidin-1-yl]-2-oxoacetamide (PubChem CID 169113669) has the molecular formula C26H34N8O2 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-[(2R,5S)-5-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-[(2R,5S)-5-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]piperidin-1-yl]-2-oxoacetamide
PubChem CID169113669
Molecular FormulaC26H34N8O2
Molecular Weight490.61 g/mol
Exact Mass490.28
IUPAC NameN-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-[(2R,5S)-5-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]piperidin-1-yl]-2-oxoacetamide
SMILESC[C@H]1CC[C@H](c2ccc(N3CCN(C)CC3)cc2)N(C(=O)C(=O)Nc2cnc(N)c3c2cnn3C)C1
InChIInChI=1S/C26H34N8O2/c1-17-4-9-22(18-5-7-19(8-6-18)33-12-10-31(2)11-13-33)34(16-17)26(36)25(35)30-21-15-28-24(27)23-20(21)14-29-32(23)3/h5-8,14-15,17,22H,4,9-13,16H2,1-3H3,(H2,27,28)(H,30,35)/t17-,22+/m0/s1
InChIKeyRKZBFJPEVUGSAZ-HTAPYJJXSA-N
XLogP2.24
TPSA112.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]piperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 165062940
N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164752986
N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-(5-methyl-2-phenylpiperidin-1-yl)-2-oxoacetamide
CID 164753441
2-(4-acetyl-3-methylpiperazin-1-yl)-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide
CID 169115663
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-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide
CID 169113136
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[4-(2-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 164753126
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-[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
CID 169114933
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-[(2R,5S)-2-[4-[2-[iodo(methyl)amino]ethyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 170067745
N-(6-amino-5-propan-2-yl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164751296

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-[(2R,5S)-5-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-[(2R,5S)-5-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]piperidin-1-yl]-2-oxoacetamide (CID 169113669) is N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-[(2R,5S)-5-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-[(2R,5S)-5-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-[(2R,5S)-5-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]piperidin-1-yl]-2-oxoacetamide is C[C@H]1CC[C@H](c2ccc(N3CCN(C)CC3)cc2)N(C(=O)C(=O)Nc2cnc(N)c3c2cnn3C)C1.
What is the InChIKey of N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-[(2R,5S)-5-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]piperidin-1-yl]-2-oxoacetamide?
The InChIKey is RKZBFJPEVUGSAZ-HTAPYJJXSA-N. The full InChI is InChI=1S/C26H34N8O2/c1-17-4-9-22(18-5-7-19(8-6-18)33-12-10-31(2)11-13-33)34(16-17)26(36)25(35)30-21-15-28-24(27)23-20(21)14-29-32(23)3/h5-8,14-15,17,22H,4,9-13,16H2,1-3H3,(H2,27,28)(H,30,35)/t17-,22+/m0/s1.
What are the key properties of N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-[(2R,5S)-5-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]piperidin-1-yl]-2-oxoacetamide?
N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-[(2R,5S)-5-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]piperidin-1-yl]-2-oxoacetamide has a molecular weight of 490.61 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-[(2R,5S)-5-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169113669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).