4-[7-amino-3-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

C27H26F3N7O3 — CID 118173587

IUPAC4-[7-amino-3-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCOCC(=O)N1CCC[C@@H](c2nn(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccc23)C1
InChIInChI=1S/C27H26F3N7O3/c1-40-15-22(38)36-12-2-3-17(14-36)23-20-9-11-33-25(31)24(20)37(35-23)19-6-4-16(5-7-19)26(39)34-21-13-18(8-10-32-21)27(28,29)30/h4-11,13,17H,2-3,12,14-15H2,1H3,(H2,31,33)(H,32,34,39)/t17-/m1/s1
InChIKeySREOLMJFFXWZDA-QGZVFWFLSA-N
MW553.55 g/mol
LogP4.02
Rot. Bonds6

About 4-[7-amino-3-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

4-[7-amino-3-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 118173587) has the molecular formula C27H26F3N7O3 and a molecular weight of 553.55 g/mol. Its IUPAC name is 4-[7-amino-3-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[7-amino-3-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID118173587
Molecular FormulaC27H26F3N7O3
Molecular Weight553.55 g/mol
Exact Mass553.20
IUPAC Name4-[7-amino-3-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCOCC(=O)N1CCC[C@@H](c2nn(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccc23)C1
InChIInChI=1S/C27H26F3N7O3/c1-40-15-22(38)36-12-2-3-17(14-36)23-20-9-11-33-25(31)24(20)37(35-23)19-6-4-16(5-7-19)26(39)34-21-13-18(8-10-32-21)27(28,29)30/h4-11,13,17H,2-3,12,14-15H2,1H3,(H2,31,33)(H,32,34,39)/t17-/m1/s1
InChIKeySREOLMJFFXWZDA-QGZVFWFLSA-N
XLogP4.02
TPSA128.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.55
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[7-amino-3-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide with MolForge

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Related Compounds

CID 44599690
CID 44599690
CID 57861407
CID 57861407
CID 71222614
CID 71222614
CID 71225940
CID 71225940
CID 71226110
CID 71226110
CID 71226521
CID 71226521
CID 71226944
CID 71226944
CID 71235465
CID 71235465
CID 71253681
CID 71253681
CID 118341329
CID 118341329
CID 118341389
CID 118341389
CID 118341405
CID 118341405

Frequently Asked Questions

What is the IUPAC name of 4-[7-amino-3-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 4-[7-amino-3-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 118173587) is 4-[7-amino-3-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[7-amino-3-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-[7-amino-3-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is COCC(=O)N1CCC[C@@H](c2nn(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccc23)C1.
What is the InChIKey of 4-[7-amino-3-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is SREOLMJFFXWZDA-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H26F3N7O3/c1-40-15-22(38)36-12-2-3-17(14-36)23-20-9-11-33-25(31)24(20)37(35-23)19-6-4-16(5-7-19)26(39)34-21-13-18(8-10-32-21)27(28,29)30/h4-11,13,17H,2-3,12,14-15H2,1H3,(H2,31,33)(H,32,34,39)/t17-/m1/s1.
What are the key properties of 4-[7-amino-3-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
4-[7-amino-3-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 553.55 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-amino-3-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[3,4-c]pyridin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 118173587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).