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

C27H24Cl2F3N7O5 — CID 162141781

IUPAC5-[3-(5-cyano-2-pyridinyl)propylamino]-7-(2,4-dichlorophenyl)-N-(1,3-dihydroxypropan-2-yl)imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESN#Cc1ccc(CCCNc2nc(-c3ccc(Cl)cc3Cl)cc3nc(C(=O)NC(CO)CO)cn23)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H23Cl2N7O3.C2HF3O2/c26-16-4-6-19(20(27)8-16)21-9-23-32-22(24(37)31-18(13-35)14-36)12-34(23)25(33-21)29-7-1-2-17-5-3-15(10-28)11-30-17;3-2(4,5)1(6)7/h3-6,8-9,11-12,18,35-36H,1-2,7,13-14H2,(H,29,33)(H,31,37);(H,6,7)
InChIKeyDGZSHILWJWXXDK-UHFFFAOYSA-N
MW654.43 g/mol
LogP3.73
Rot. Bonds10

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

5-[3-(5-cyano-2-pyridinyl)propylamino]-7-(2,4-dichlorophenyl)-N-(1,3-dihydroxypropan-2-yl)imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 162141781) has the molecular formula C27H24Cl2F3N7O5 and a molecular weight of 654.43 g/mol. Its IUPAC name is 5-[3-(5-cyano-2-pyridinyl)propylamino]-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-[3-(5-cyano-2-pyridinyl)propylamino]-7-(2,4-dichlorophenyl)-N-(1,3-dihydroxypropan-2-yl)imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID162141781
Molecular FormulaC27H24Cl2F3N7O5
Molecular Weight654.43 g/mol
Exact Mass653.12
IUPAC Name5-[3-(5-cyano-2-pyridinyl)propylamino]-7-(2,4-dichlorophenyl)-N-(1,3-dihydroxypropan-2-yl)imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESN#Cc1ccc(CCCNc2nc(-c3ccc(Cl)cc3Cl)cc3nc(C(=O)NC(CO)CO)cn23)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H23Cl2N7O3.C2HF3O2/c26-16-4-6-19(20(27)8-16)21-9-23-32-22(24(37)31-18(13-35)14-36)12-34(23)25(33-21)29-7-1-2-17-5-3-15(10-28)11-30-17;3-2(4,5)1(6)7/h3-6,8-9,11-12,18,35-36H,1-2,7,13-14H2,(H,29,33)(H,31,37);(H,6,7)
InChIKeyDGZSHILWJWXXDK-UHFFFAOYSA-N
XLogP3.73
TPSA185.76 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500654.43
LogP ≤ 53.73
H-Bond Donors ≤ 55
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-[3-(5-cyano-2-pyridinyl)propylamino]-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-[3-(5-cyano-2-pyridinyl)propylamino]-7-(2,4-dichlorophenyl)-N-(1,3-dihydroxypropan-2-yl)imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 162141781) is 5-[3-(5-cyano-2-pyridinyl)propylamino]-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-[3-(5-cyano-2-pyridinyl)propylamino]-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-[3-(5-cyano-2-pyridinyl)propylamino]-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(CCCNc2nc(-c3ccc(Cl)cc3Cl)cc3nc(C(=O)NC(CO)CO)cn23)nc1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-[3-(5-cyano-2-pyridinyl)propylamino]-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 DGZSHILWJWXXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N7O3.C2HF3O2/c26-16-4-6-19(20(27)8-16)21-9-23-32-22(24(37)31-18(13-35)14-36)12-34(23)25(33-21)29-7-1-2-17-5-3-15(10-28)11-30-17;3-2(4,5)1(6)7/h3-6,8-9,11-12,18,35-36H,1-2,7,13-14H2,(H,29,33)(H,31,37);(H,6,7).
What are the key properties of 5-[3-(5-cyano-2-pyridinyl)propylamino]-7-(2,4-dichlorophenyl)-N-(1,3-dihydroxypropan-2-yl)imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
5-[3-(5-cyano-2-pyridinyl)propylamino]-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 654.43 g/mol, XLogP of 3.73, 10 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-cyano-2-pyridinyl)propylamino]-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 162141781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).