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

C27H26F3N7O3 — CID 71226970

IUPAC4-[4-amino-1-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCOCC(=O)N1CCC[C@@H](n2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccc32)C1
InChIInChI=1S/C27H26F3N7O3/c1-40-15-22(38)36-12-2-3-19(14-36)37-20-9-11-33-25(31)23(20)24(35-37)16-4-6-17(7-5-16)26(39)34-21-13-18(8-10-32-21)27(28,29)30/h4-11,13,19H,2-3,12,14-15H2,1H3,(H2,31,33)(H,32,34,39)/t19-/m1/s1
InChIKeySEBXNLHOPSBRNT-LJQANCHMSA-N
MW553.55 g/mol
LogP4.16
Rot. Bonds6

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

4-[4-amino-1-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 71226970) has the molecular formula C27H26F3N7O3 and a molecular weight of 553.55 g/mol. Its IUPAC name is 4-[4-amino-1-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[4-amino-1-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID71226970
Molecular FormulaC27H26F3N7O3
Molecular Weight553.55 g/mol
Exact Mass553.20
IUPAC Name4-[4-amino-1-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCOCC(=O)N1CCC[C@@H](n2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccc32)C1
InChIInChI=1S/C27H26F3N7O3/c1-40-15-22(38)36-12-2-3-19(14-36)37-20-9-11-33-25(31)23(20)24(35-37)16-4-6-17(7-5-16)26(39)34-21-13-18(8-10-32-21)27(28,29)30/h4-11,13,19H,2-3,12,14-15H2,1H3,(H2,31,33)(H,32,34,39)/t19-/m1/s1
InChIKeySEBXNLHOPSBRNT-LJQANCHMSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-1-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 4-[4-amino-1-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 71226970) is 4-[4-amino-1-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[4-amino-1-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-[4-amino-1-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is COCC(=O)N1CCC[C@@H](n2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccc32)C1.
What is the InChIKey of 4-[4-amino-1-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is SEBXNLHOPSBRNT-LJQANCHMSA-N. The full InChI is InChI=1S/C27H26F3N7O3/c1-40-15-22(38)36-12-2-3-19(14-36)37-20-9-11-33-25(31)23(20)24(35-37)16-4-6-17(7-5-16)26(39)34-21-13-18(8-10-32-21)27(28,29)30/h4-11,13,19H,2-3,12,14-15H2,1H3,(H2,31,33)(H,32,34,39)/t19-/m1/s1.
What are the key properties of 4-[4-amino-1-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
4-[4-amino-1-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 553.55 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-1-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 71226970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).