1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,3-dichlorophenyl)urea

C19H14Cl2N6O — CID 127025032

IUPAC1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,3-dichlorophenyl)urea
SMILESNc1nccn2c(-c3cccc(NC(=O)Nc4cccc(Cl)c4Cl)c3)cnc12
InChIInChI=1S/C19H14Cl2N6O/c20-13-5-2-6-14(16(13)21)26-19(28)25-12-4-1-3-11(9-12)15-10-24-18-17(22)23-7-8-27(15)18/h1-10H,(H2,22,23)(H2,25,26,28)
InChIKeyOFYIYWTYQMZEDK-UHFFFAOYSA-N
MW413.27 g/mol
LogP4.93
Rot. Bonds3

About 1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,3-dichlorophenyl)urea

1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,3-dichlorophenyl)urea (PubChem CID 127025032) has the molecular formula C19H14Cl2N6O and a molecular weight of 413.27 g/mol. Its IUPAC name is 1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,3-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,3-dichlorophenyl)urea
PubChem CID127025032
Molecular FormulaC19H14Cl2N6O
Molecular Weight413.27 g/mol
Exact Mass412.06
IUPAC Name1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,3-dichlorophenyl)urea
SMILESNc1nccn2c(-c3cccc(NC(=O)Nc4cccc(Cl)c4Cl)c3)cnc12
InChIInChI=1S/C19H14Cl2N6O/c20-13-5-2-6-14(16(13)21)26-19(28)25-12-4-1-3-11(9-12)15-10-24-18-17(22)23-7-8-27(15)18/h1-10H,(H2,22,23)(H2,25,26,28)
InChIKeyOFYIYWTYQMZEDK-UHFFFAOYSA-N
XLogP4.93
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,3-dichlorophenyl)urea with MolForge

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Related Compounds

N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44563262
2,4-Disubstituted Pyrimidine 2i
CID 5329422
2,4-Disubstituted Pyrimidine 2j
CID 5329423
6-(4-Chlorophenyl)-2-phenylimidazo[1,2-a]pyridine
CID 58880630
6-Chloro-2-phenylimidazo[1,2-a]pyridine
CID 696181
6-Chloro-2-(4-chlorophenyl)imidazo(1,2-a)pyridine
CID 717647
3-{3-Benzyl-3H-imidazo[4,5-B]pyridin-2-YL}-N-[(3-chlorophenyl)methyl]propanamide
CID 16009054
3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide
CID 20867287
7,8-Dichloro-4-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 10003131
2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;hydrochloride
CID 25138878
2-(2-(3-Amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide
CID 25138879
2-(2-(3-Amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl)-N-butyl-N-methylacetamide
CID 25140481

Frequently Asked Questions

What is the IUPAC name of 1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,3-dichlorophenyl)urea?
The IUPAC name of 1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,3-dichlorophenyl)urea (CID 127025032) is 1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,3-dichlorophenyl)urea.
What is the SMILES notation for 1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,3-dichlorophenyl)urea?
The canonical SMILES for 1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,3-dichlorophenyl)urea is Nc1nccn2c(-c3cccc(NC(=O)Nc4cccc(Cl)c4Cl)c3)cnc12.
What is the InChIKey of 1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,3-dichlorophenyl)urea?
The InChIKey is OFYIYWTYQMZEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N6O/c20-13-5-2-6-14(16(13)21)26-19(28)25-12-4-1-3-11(9-12)15-10-24-18-17(22)23-7-8-27(15)18/h1-10H,(H2,22,23)(H2,25,26,28).
What are the key properties of 1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,3-dichlorophenyl)urea?
1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,3-dichlorophenyl)urea has a molecular weight of 413.27 g/mol, XLogP of 4.93, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-3-(2,3-dichlorophenyl)urea is sourced from PubChem (CID 127025032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).