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

C29H28Cl2F3N7O3 — CID 161084340

IUPAC5-[3-(5-cyano-2-pyridinyl)propylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCC(CC)NC(=O)c1cn2c(NCCCc3ccc(C#N)cn3)nc(-c3ccc(Cl)cc3Cl)cc2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C27H27Cl2N7O.C2HF3O2/c1-3-19(4-2)33-26(37)24-16-36-25(34-24)13-23(21-10-8-18(28)12-22(21)29)35-27(36)31-11-5-6-20-9-7-17(14-30)15-32-20;3-2(4,5)1(6)7/h7-10,12-13,15-16,19H,3-6,11H2,1-2H3,(H,31,35)(H,33,37);(H,6,7)
InChIKeyAMTBERMCURQVHR-UHFFFAOYSA-N
MW650.49 g/mol
LogP6.57
Rot. Bonds10

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

5-[3-(5-cyano-2-pyridinyl)propylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 161084340) has the molecular formula C29H28Cl2F3N7O3 and a molecular weight of 650.49 g/mol. Its IUPAC name is 5-[3-(5-cyano-2-pyridinyl)propylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-[3-(5-cyano-2-pyridinyl)propylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID161084340
Molecular FormulaC29H28Cl2F3N7O3
Molecular Weight650.49 g/mol
Exact Mass649.16
IUPAC Name5-[3-(5-cyano-2-pyridinyl)propylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCC(CC)NC(=O)c1cn2c(NCCCc3ccc(C#N)cn3)nc(-c3ccc(Cl)cc3Cl)cc2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C27H27Cl2N7O.C2HF3O2/c1-3-19(4-2)33-26(37)24-16-36-25(34-24)13-23(21-10-8-18(28)12-22(21)29)35-27(36)31-11-5-6-20-9-7-17(14-30)15-32-20;3-2(4,5)1(6)7/h7-10,12-13,15-16,19H,3-6,11H2,1-2H3,(H,31,35)(H,33,37);(H,6,7)
InChIKeyAMTBERMCURQVHR-UHFFFAOYSA-N
XLogP6.57
TPSA145.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.49
LogP ≤ 56.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-[3-(5-cyano-2-pyridinyl)propylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-[3-(5-cyano-2-pyridinyl)propylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 161084340) is 5-[3-(5-cyano-2-pyridinyl)propylamino]-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-[3-(5-cyano-2-pyridinyl)propylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-[3-(5-cyano-2-pyridinyl)propylamino]-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(NCCCc3ccc(C#N)cn3)nc(-c3ccc(Cl)cc3Cl)cc2n1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-[3-(5-cyano-2-pyridinyl)propylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is AMTBERMCURQVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27Cl2N7O.C2HF3O2/c1-3-19(4-2)33-26(37)24-16-36-25(34-24)13-23(21-10-8-18(28)12-22(21)29)35-27(36)31-11-5-6-20-9-7-17(14-30)15-32-20;3-2(4,5)1(6)7/h7-10,12-13,15-16,19H,3-6,11H2,1-2H3,(H,31,35)(H,33,37);(H,6,7).
What are the key properties of 5-[3-(5-cyano-2-pyridinyl)propylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
5-[3-(5-cyano-2-pyridinyl)propylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 650.49 g/mol, XLogP of 6.57, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-cyano-2-pyridinyl)propylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161084340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).