5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-N-[2-(dimethylamino)ethyl]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid

C28H27F6N9O3 — CID 162313201

IUPAC5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-N-[2-(dimethylamino)ethyl]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)CCNC(=O)c1cn2c(NCCNc3ccc(C#N)cn3)nc(-c3ccc(C(F)(F)F)cc3)cc2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H26F3N9O.C2HF3O2/c1-37(2)12-11-32-24(39)21-16-38-23(35-21)13-20(18-4-6-19(7-5-18)26(27,28)29)36-25(38)33-10-9-31-22-8-3-17(14-30)15-34-22;3-2(4,5)1(6)7/h3-8,13,15-16H,9-12H2,1-2H3,(H,31,34)(H,32,39)(H,33,36);(H,6,7)
InChIKeyDIYZSMQNZPYVFA-UHFFFAOYSA-N
MW651.57 g/mol
LogP4.13
Rot. Bonds10

About 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-N-[2-(dimethylamino)ethyl]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid

5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-N-[2-(dimethylamino)ethyl]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 162313201) has the molecular formula C28H27F6N9O3 and a molecular weight of 651.57 g/mol. Its IUPAC name is 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-N-[2-(dimethylamino)ethyl]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-N-[2-(dimethylamino)ethyl]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID162313201
Molecular FormulaC28H27F6N9O3
Molecular Weight651.57 g/mol
Exact Mass651.21
IUPAC Name5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-N-[2-(dimethylamino)ethyl]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)CCNC(=O)c1cn2c(NCCNc3ccc(C#N)cn3)nc(-c3ccc(C(F)(F)F)cc3)cc2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H26F3N9O.C2HF3O2/c1-37(2)12-11-32-24(39)21-16-38-23(35-21)13-20(18-4-6-19(7-5-18)26(27,28)29)36-25(38)33-10-9-31-22-8-3-17(14-30)15-34-22;3-2(4,5)1(6)7/h3-8,13,15-16H,9-12H2,1-2H3,(H,31,34)(H,32,39)(H,33,36);(H,6,7)
InChIKeyDIYZSMQNZPYVFA-UHFFFAOYSA-N
XLogP4.13
TPSA160.57 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500651.57
LogP ≤ 54.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-N-[2-(dimethylamino)ethyl]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-N-[2-(dimethylamino)ethyl]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 162313201) is 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-N-[2-(dimethylamino)ethyl]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-N-[2-(dimethylamino)ethyl]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-N-[2-(dimethylamino)ethyl]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid is CN(C)CCNC(=O)c1cn2c(NCCNc3ccc(C#N)cn3)nc(-c3ccc(C(F)(F)F)cc3)cc2n1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-N-[2-(dimethylamino)ethyl]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is DIYZSMQNZPYVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N9O.C2HF3O2/c1-37(2)12-11-32-24(39)21-16-38-23(35-21)13-20(18-4-6-19(7-5-18)26(27,28)29)36-25(38)33-10-9-31-22-8-3-17(14-30)15-34-22;3-2(4,5)1(6)7/h3-8,13,15-16H,9-12H2,1-2H3,(H,31,34)(H,32,39)(H,33,36);(H,6,7).
What are the key properties of 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-N-[2-(dimethylamino)ethyl]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-N-[2-(dimethylamino)ethyl]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 651.57 g/mol, XLogP of 4.13, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-N-[2-(dimethylamino)ethyl]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162313201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).