2-[(2R,5S)-5-methyl-2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide

C31H40N8O2 — CID 169114492

IUPAC2-[(2R,5S)-5-methyl-2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide
SMILESC[C@H]1CC[C@H](c2ccc3cn(C4CC(C)(C)N(C)C(C)(C)C4)nc3c2)N(C(=O)C(=O)Nc2cncc3cn[nH]c23)C1
InChIInChI=1S/C31H40N8O2/c1-19-7-10-26(38(17-19)29(41)28(40)34-25-16-32-14-22-15-33-35-27(22)25)20-8-9-21-18-39(36-24(21)11-20)23-12-30(2,3)37(6)31(4,5)13-23/h8-9,11,14-16,18-19,23,26H,7,10,12-13,17H2,1-6H3,(H,33,35)(H,34,40)/t19-,26+/m0/s1
InChIKeyQDAPCVBOVNCGER-AFMDSPMNSA-N
MW556.72 g/mol
LogP5.07
Rot. Bonds3

About 2-[(2R,5S)-5-methyl-2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide

2-[(2R,5S)-5-methyl-2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide (PubChem CID 169114492) has the molecular formula C31H40N8O2 and a molecular weight of 556.72 g/mol. Its IUPAC name is 2-[(2R,5S)-5-methyl-2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide.

Molecular Properties

Compound Name2-[(2R,5S)-5-methyl-2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide
PubChem CID169114492
Molecular FormulaC31H40N8O2
Molecular Weight556.72 g/mol
Exact Mass556.33
IUPAC Name2-[(2R,5S)-5-methyl-2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide
SMILESC[C@H]1CC[C@H](c2ccc3cn(C4CC(C)(C)N(C)C(C)(C)C4)nc3c2)N(C(=O)C(=O)Nc2cncc3cn[nH]c23)C1
InChIInChI=1S/C31H40N8O2/c1-19-7-10-26(38(17-19)29(41)28(40)34-25-16-32-14-22-15-33-35-27(22)25)20-8-9-21-18-39(36-24(21)11-20)23-12-30(2,3)37(6)31(4,5)13-23/h8-9,11,14-16,18-19,23,26H,7,10,12-13,17H2,1-6H3,(H,33,35)(H,34,40)/t19-,26+/m0/s1
InChIKeyQDAPCVBOVNCGER-AFMDSPMNSA-N
XLogP5.07
TPSA112.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.72
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(2R,5S)-5-methyl-2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-5-methyl-2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide?
The IUPAC name of 2-[(2R,5S)-5-methyl-2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide (CID 169114492) is 2-[(2R,5S)-5-methyl-2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide.
What is the SMILES notation for 2-[(2R,5S)-5-methyl-2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide?
The canonical SMILES for 2-[(2R,5S)-5-methyl-2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide is C[C@H]1CC[C@H](c2ccc3cn(C4CC(C)(C)N(C)C(C)(C)C4)nc3c2)N(C(=O)C(=O)Nc2cncc3cn[nH]c23)C1.
What is the InChIKey of 2-[(2R,5S)-5-methyl-2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide?
The InChIKey is QDAPCVBOVNCGER-AFMDSPMNSA-N. The full InChI is InChI=1S/C31H40N8O2/c1-19-7-10-26(38(17-19)29(41)28(40)34-25-16-32-14-22-15-33-35-27(22)25)20-8-9-21-18-39(36-24(21)11-20)23-12-30(2,3)37(6)31(4,5)13-23/h8-9,11,14-16,18-19,23,26H,7,10,12-13,17H2,1-6H3,(H,33,35)(H,34,40)/t19-,26+/m0/s1.
What are the key properties of 2-[(2R,5S)-5-methyl-2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide?
2-[(2R,5S)-5-methyl-2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide has a molecular weight of 556.72 g/mol, XLogP of 5.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-5-methyl-2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide is sourced from PubChem (CID 169114492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).