5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-(1,3-dihydroxypropan-2-yl)imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid

C26H23Cl2F3N8O5 — CID 162325580

IUPAC5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-(1,3-dihydroxypropan-2-yl)imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESN#Cc1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cc3nc(C(=O)NC(CO)CO)cn23)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H22Cl2N8O3.C2HF3O2/c25-15-2-3-17(18(26)7-15)19-8-22-32-20(23(37)31-16(12-35)13-36)11-34(22)24(33-19)29-6-5-28-21-4-1-14(9-27)10-30-21;3-2(4,5)1(6)7/h1-4,7-8,10-11,16,35-36H,5-6,12-13H2,(H,28,30)(H,29,33)(H,31,37);(H,6,7)
InChIKeyJAYXCPSYNBNJOG-UHFFFAOYSA-N
MW655.42 g/mol
LogP3.21
Rot. Bonds10

About 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-(1,3-dihydroxypropan-2-yl)imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid

5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-(1,3-dihydroxypropan-2-yl)imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 162325580) has the molecular formula C26H23Cl2F3N8O5 and a molecular weight of 655.42 g/mol. Its IUPAC name is 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-(1,3-dihydroxypropan-2-yl)imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-(1,3-dihydroxypropan-2-yl)imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID162325580
Molecular FormulaC26H23Cl2F3N8O5
Molecular Weight655.42 g/mol
Exact Mass654.11
IUPAC Name5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-(1,3-dihydroxypropan-2-yl)imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESN#Cc1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cc3nc(C(=O)NC(CO)CO)cn23)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H22Cl2N8O3.C2HF3O2/c25-15-2-3-17(18(26)7-15)19-8-22-32-20(23(37)31-16(12-35)13-36)11-34(22)24(33-19)29-6-5-28-21-4-1-14(9-27)10-30-21;3-2(4,5)1(6)7/h1-4,7-8,10-11,16,35-36H,5-6,12-13H2,(H,28,30)(H,29,33)(H,31,37);(H,6,7)
InChIKeyJAYXCPSYNBNJOG-UHFFFAOYSA-N
XLogP3.21
TPSA197.79 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500655.42
LogP ≤ 53.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

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]-7-(2,4-dichlorophenyl)-N-(1,3-dihydroxypropan-2-yl)imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-(1,3-dihydroxypropan-2-yl)imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 162325580) is 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-(1,3-dihydroxypropan-2-yl)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]-7-(2,4-dichlorophenyl)-N-(1,3-dihydroxypropan-2-yl)imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-(1,3-dihydroxypropan-2-yl)imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid is N#Cc1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cc3nc(C(=O)NC(CO)CO)cn23)nc1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-(1,3-dihydroxypropan-2-yl)imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is JAYXCPSYNBNJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N8O3.C2HF3O2/c25-15-2-3-17(18(26)7-15)19-8-22-32-20(23(37)31-16(12-35)13-36)11-34(22)24(33-19)29-6-5-28-21-4-1-14(9-27)10-30-21;3-2(4,5)1(6)7/h1-4,7-8,10-11,16,35-36H,5-6,12-13H2,(H,28,30)(H,29,33)(H,31,37);(H,6,7).
What are the key properties of 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-(1,3-dihydroxypropan-2-yl)imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-(1,3-dihydroxypropan-2-yl)imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 655.42 g/mol, XLogP of 3.21, 10 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-(1,3-dihydroxypropan-2-yl)imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162325580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).