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

C28H27Cl2F3N8O3 — CID 162309330

IUPAC5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCC(CC)NC(=O)c1cn2c(NCCNc3ccc(C#N)cn3)nc(-c3ccc(Cl)cc3Cl)cc2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H26Cl2N8O.C2HF3O2/c1-3-18(4-2)33-25(37)22-15-36-24(34-22)12-21(19-7-6-17(27)11-20(19)28)35-26(36)31-10-9-30-23-8-5-16(13-29)14-32-23;3-2(4,5)1(6)7/h5-8,11-12,14-15,18H,3-4,9-10H2,1-2H3,(H,30,32)(H,31,35)(H,33,37);(H,6,7)
InChIKeyKIWGCABVCPIDPG-UHFFFAOYSA-N
MW651.48 g/mol
LogP6.05
Rot. Bonds10

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

5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 162309330) has the molecular formula C28H27Cl2F3N8O3 and a molecular weight of 651.48 g/mol. Its IUPAC name is 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[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-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID162309330
Molecular FormulaC28H27Cl2F3N8O3
Molecular Weight651.48 g/mol
Exact Mass650.15
IUPAC Name5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCC(CC)NC(=O)c1cn2c(NCCNc3ccc(C#N)cn3)nc(-c3ccc(Cl)cc3Cl)cc2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H26Cl2N8O.C2HF3O2/c1-3-18(4-2)33-25(37)22-15-36-24(34-22)12-21(19-7-6-17(27)11-20(19)28)35-26(36)31-10-9-30-23-8-5-16(13-29)14-32-23;3-2(4,5)1(6)7/h5-8,11-12,14-15,18H,3-4,9-10H2,1-2H3,(H,30,32)(H,31,35)(H,33,37);(H,6,7)
InChIKeyKIWGCABVCPIDPG-UHFFFAOYSA-N
XLogP6.05
TPSA157.33 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.48
LogP ≤ 56.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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-pentan-3-ylimidazo[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-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 162309330) is 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[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-pentan-3-ylimidazo[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-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid is CCC(CC)NC(=O)c1cn2c(NCCNc3ccc(C#N)cn3)nc(-c3ccc(Cl)cc3Cl)cc2n1.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-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is KIWGCABVCPIDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N8O.C2HF3O2/c1-3-18(4-2)33-25(37)22-15-36-24(34-22)12-21(19-7-6-17(27)11-20(19)28)35-26(36)31-10-9-30-23-8-5-16(13-29)14-32-23;3-2(4,5)1(6)7/h5-8,11-12,14-15,18H,3-4,9-10H2,1-2H3,(H,30,32)(H,31,35)(H,33,37);(H,6,7).
What are the key properties of 5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 651.48 g/mol, XLogP of 6.05, 10 rotatable bonds, 4 hydrogen bond donors, and 9 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-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162309330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).