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

C28H34N8O2 — CID 169115002

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[(2R,5S)-2-[2-[(3S)-1,3-dimethylpiperidin-4-yl]indazol-6-yl]-5-methylpiperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide
SMILESC[C@H]1CC[C@H](c2ccc3cn(C4CCN(C)C[C@@H]4C)nc3c2)N(C(=O)C(=O)Nc2cncc3cn[nH]c23)C1
InChIInChI=1S/C28H34N8O2/c1-17-4-7-25(35(14-17)28(38)27(37)31-23-13-29-11-21-12-30-32-26(21)23)19-5-6-20-16-36(33-22(20)10-19)24-8-9-34(3)15-18(24)2/h5-6,10-13,16-18,24-25H,4,7-9,14-15H2,1-3H3,(H,30,32)(H,31,37)/t17-,18-,24?,25+/m0/s1
InChIKeyLFGSBLGDHHUYGT-UEKSOMRSSA-N
MW514.63 g/mol
LogP3.76
Rot. Bonds3

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

2-[(2R,5S)-2-[2-[(3S)-1,3-dimethylpiperidin-4-yl]indazol-6-yl]-5-methylpiperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide (PubChem CID 169115002) has the molecular formula C28H34N8O2 and a molecular weight of 514.63 g/mol. Its IUPAC name is 2-[(2R,5S)-2-[2-[(3S)-1,3-dimethylpiperidin-4-yl]indazol-6-yl]-5-methylpiperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide.

Molecular Properties

Compound Name2-[(2R,5S)-2-[2-[(3S)-1,3-dimethylpiperidin-4-yl]indazol-6-yl]-5-methylpiperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide
PubChem CID169115002
Molecular FormulaC28H34N8O2
Molecular Weight514.63 g/mol
Exact Mass514.28
IUPAC Name2-[(2R,5S)-2-[2-[(3S)-1,3-dimethylpiperidin-4-yl]indazol-6-yl]-5-methylpiperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide
SMILESC[C@H]1CC[C@H](c2ccc3cn(C4CCN(C)C[C@@H]4C)nc3c2)N(C(=O)C(=O)Nc2cncc3cn[nH]c23)C1
InChIInChI=1S/C28H34N8O2/c1-17-4-7-25(35(14-17)28(38)27(37)31-23-13-29-11-21-12-30-32-26(21)23)19-5-6-20-16-36(33-22(20)10-19)24-8-9-34(3)15-18(24)2/h5-6,10-13,16-18,24-25H,4,7-9,14-15H2,1-3H3,(H,30,32)(H,31,37)/t17-,18-,24?,25+/m0/s1
InChIKeyLFGSBLGDHHUYGT-UEKSOMRSSA-N
XLogP3.76
TPSA112.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.63
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-2-[2-[(3S)-1,3-dimethylpiperidin-4-yl]indazol-6-yl]-5-methylpiperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide?
The IUPAC name of 2-[(2R,5S)-2-[2-[(3S)-1,3-dimethylpiperidin-4-yl]indazol-6-yl]-5-methylpiperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide (CID 169115002) is 2-[(2R,5S)-2-[2-[(3S)-1,3-dimethylpiperidin-4-yl]indazol-6-yl]-5-methylpiperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide.
What is the SMILES notation for 2-[(2R,5S)-2-[2-[(3S)-1,3-dimethylpiperidin-4-yl]indazol-6-yl]-5-methylpiperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide?
The canonical SMILES for 2-[(2R,5S)-2-[2-[(3S)-1,3-dimethylpiperidin-4-yl]indazol-6-yl]-5-methylpiperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide is C[C@H]1CC[C@H](c2ccc3cn(C4CCN(C)C[C@@H]4C)nc3c2)N(C(=O)C(=O)Nc2cncc3cn[nH]c23)C1.
What is the InChIKey of 2-[(2R,5S)-2-[2-[(3S)-1,3-dimethylpiperidin-4-yl]indazol-6-yl]-5-methylpiperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide?
The InChIKey is LFGSBLGDHHUYGT-UEKSOMRSSA-N. The full InChI is InChI=1S/C28H34N8O2/c1-17-4-7-25(35(14-17)28(38)27(37)31-23-13-29-11-21-12-30-32-26(21)23)19-5-6-20-16-36(33-22(20)10-19)24-8-9-34(3)15-18(24)2/h5-6,10-13,16-18,24-25H,4,7-9,14-15H2,1-3H3,(H,30,32)(H,31,37)/t17-,18-,24?,25+/m0/s1.
What are the key properties of 2-[(2R,5S)-2-[2-[(3S)-1,3-dimethylpiperidin-4-yl]indazol-6-yl]-5-methylpiperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide?
2-[(2R,5S)-2-[2-[(3S)-1,3-dimethylpiperidin-4-yl]indazol-6-yl]-5-methylpiperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide has a molecular weight of 514.63 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-2-[2-[(3S)-1,3-dimethylpiperidin-4-yl]indazol-6-yl]-5-methylpiperidin-1-yl]-2-oxo-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide is sourced from PubChem (CID 169115002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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