4-[4-amino-7-[(3R)-piperidin-3-yl]imidazo[5,1-f][1,2,4]triazin-5-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

C23H21F3N8O — CID 90323712

IUPAC4-[4-amino-7-[(3R)-piperidin-3-yl]imidazo[5,1-f][1,2,4]triazin-5-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESNc1ncnn2c([C@@H]3CCCNC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12
InChIInChI=1S/C23H21F3N8O/c24-23(25,26)16-7-9-29-17(10-16)32-22(35)14-5-3-13(4-6-14)18-19-20(27)30-12-31-34(19)21(33-18)15-2-1-8-28-11-15/h3-7,9-10,12,15,28H,1-2,8,11H2,(H2,27,30,31)(H,29,32,35)/t15-/m1/s1
InChIKeyCNLWYKCKHUIPFT-OAHLLOKOSA-N
MW482.47 g/mol
LogP3.51
Rot. Bonds4

About 4-[4-amino-7-[(3R)-piperidin-3-yl]imidazo[5,1-f][1,2,4]triazin-5-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

4-[4-amino-7-[(3R)-piperidin-3-yl]imidazo[5,1-f][1,2,4]triazin-5-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 90323712) has the molecular formula C23H21F3N8O and a molecular weight of 482.47 g/mol. Its IUPAC name is 4-[4-amino-7-[(3R)-piperidin-3-yl]imidazo[5,1-f][1,2,4]triazin-5-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[4-amino-7-[(3R)-piperidin-3-yl]imidazo[5,1-f][1,2,4]triazin-5-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID90323712
Molecular FormulaC23H21F3N8O
Molecular Weight482.47 g/mol
Exact Mass482.18
IUPAC Name4-[4-amino-7-[(3R)-piperidin-3-yl]imidazo[5,1-f][1,2,4]triazin-5-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESNc1ncnn2c([C@@H]3CCCNC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12
InChIInChI=1S/C23H21F3N8O/c24-23(25,26)16-7-9-29-17(10-16)32-22(35)14-5-3-13(4-6-14)18-19-20(27)30-12-31-34(19)21(33-18)15-2-1-8-28-11-15/h3-7,9-10,12,15,28H,1-2,8,11H2,(H2,27,30,31)(H,29,32,35)/t15-/m1/s1
InChIKeyCNLWYKCKHUIPFT-OAHLLOKOSA-N
XLogP3.51
TPSA123.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-7-[(3R)-piperidin-3-yl]imidazo[5,1-f][1,2,4]triazin-5-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 4-[4-amino-7-[(3R)-piperidin-3-yl]imidazo[5,1-f][1,2,4]triazin-5-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 90323712) is 4-[4-amino-7-[(3R)-piperidin-3-yl]imidazo[5,1-f][1,2,4]triazin-5-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[4-amino-7-[(3R)-piperidin-3-yl]imidazo[5,1-f][1,2,4]triazin-5-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-[4-amino-7-[(3R)-piperidin-3-yl]imidazo[5,1-f][1,2,4]triazin-5-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is Nc1ncnn2c([C@@H]3CCCNC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12.
What is the InChIKey of 4-[4-amino-7-[(3R)-piperidin-3-yl]imidazo[5,1-f][1,2,4]triazin-5-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is CNLWYKCKHUIPFT-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H21F3N8O/c24-23(25,26)16-7-9-29-17(10-16)32-22(35)14-5-3-13(4-6-14)18-19-20(27)30-12-31-34(19)21(33-18)15-2-1-8-28-11-15/h3-7,9-10,12,15,28H,1-2,8,11H2,(H2,27,30,31)(H,29,32,35)/t15-/m1/s1.
What are the key properties of 4-[4-amino-7-[(3R)-piperidin-3-yl]imidazo[5,1-f][1,2,4]triazin-5-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
4-[4-amino-7-[(3R)-piperidin-3-yl]imidazo[5,1-f][1,2,4]triazin-5-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 482.47 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-7-[(3R)-piperidin-3-yl]imidazo[5,1-f][1,2,4]triazin-5-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 90323712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).