4-(2,4-dichlorophenyl)-6-methyl-8-(pentan-3-ylamino)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid

C21H23Cl2F3N4O3 — CID 11260681

IUPAC4-(2,4-dichlorophenyl)-6-methyl-8-(pentan-3-ylamino)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid
SMILESCCC(CC)Nc1cc(C)nc2c1NC(=O)CN2c1ccc(Cl)cc1Cl.O=C(O)C(F)(F)F
InChIInChI=1S/C19H22Cl2N4O.C2HF3O2/c1-4-13(5-2)23-15-8-11(3)22-19-18(15)24-17(26)10-25(19)16-7-6-12(20)9-14(16)21;3-2(4,5)1(6)7/h6-9,13H,4-5,10H2,1-3H3,(H,22,23)(H,24,26);(H,6,7)
InChIKeyHOBKGMUZMTZPQP-UHFFFAOYSA-N
MW507.34 g/mol
LogP6.02
Rot. Bonds5

About 4-(2,4-dichlorophenyl)-6-methyl-8-(pentan-3-ylamino)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid

4-(2,4-dichlorophenyl)-6-methyl-8-(pentan-3-ylamino)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 11260681) has the molecular formula C21H23Cl2F3N4O3 and a molecular weight of 507.34 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-6-methyl-8-(pentan-3-ylamino)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-6-methyl-8-(pentan-3-ylamino)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid
PubChem CID11260681
Molecular FormulaC21H23Cl2F3N4O3
Molecular Weight507.34 g/mol
Exact Mass506.11
IUPAC Name4-(2,4-dichlorophenyl)-6-methyl-8-(pentan-3-ylamino)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid
SMILESCCC(CC)Nc1cc(C)nc2c1NC(=O)CN2c1ccc(Cl)cc1Cl.O=C(O)C(F)(F)F
InChIInChI=1S/C19H22Cl2N4O.C2HF3O2/c1-4-13(5-2)23-15-8-11(3)22-19-18(15)24-17(26)10-25(19)16-7-6-12(20)9-14(16)21;3-2(4,5)1(6)7/h6-9,13H,4-5,10H2,1-3H3,(H,22,23)(H,24,26);(H,6,7)
InChIKeyHOBKGMUZMTZPQP-UHFFFAOYSA-N
XLogP6.02
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.34
LogP ≤ 56.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(2,4-dichlorophenyl)-6-methyl-8-(pentan-3-ylamino)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-6-methyl-8-(pentan-3-ylamino)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(2,4-dichlorophenyl)-6-methyl-8-(pentan-3-ylamino)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid (CID 11260681) is 4-(2,4-dichlorophenyl)-6-methyl-8-(pentan-3-ylamino)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-6-methyl-8-(pentan-3-ylamino)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(2,4-dichlorophenyl)-6-methyl-8-(pentan-3-ylamino)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid is CCC(CC)Nc1cc(C)nc2c1NC(=O)CN2c1ccc(Cl)cc1Cl.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(2,4-dichlorophenyl)-6-methyl-8-(pentan-3-ylamino)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is HOBKGMUZMTZPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O.C2HF3O2/c1-4-13(5-2)23-15-8-11(3)22-19-18(15)24-17(26)10-25(19)16-7-6-12(20)9-14(16)21;3-2(4,5)1(6)7/h6-9,13H,4-5,10H2,1-3H3,(H,22,23)(H,24,26);(H,6,7).
What are the key properties of 4-(2,4-dichlorophenyl)-6-methyl-8-(pentan-3-ylamino)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid?
4-(2,4-dichlorophenyl)-6-methyl-8-(pentan-3-ylamino)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 507.34 g/mol, XLogP of 6.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-6-methyl-8-(pentan-3-ylamino)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11260681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).