1-(4-chlorophenyl)-3-[3-[8-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea

C28H23ClN6O — CID 69456879

IUPAC1-(4-chlorophenyl)-3-[3-[8-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cn3ccnc3c(N3CCc4ccccc4C3)n2)c1
InChIInChI=1S/C28H23ClN6O/c29-22-8-10-23(11-9-22)31-28(36)32-24-7-3-6-20(16-24)25-18-35-15-13-30-26(35)27(33-25)34-14-12-19-4-1-2-5-21(19)17-34/h1-11,13,15-16,18H,12,14,17H2,(H2,31,32,36)
InChIKeyWVVCFWFNPGTGPC-UHFFFAOYSA-N
MW494.99 g/mol
LogP6.26
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[3-[8-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea

1-(4-chlorophenyl)-3-[3-[8-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea (PubChem CID 69456879) has the molecular formula C28H23ClN6O and a molecular weight of 494.99 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-[8-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-[8-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
PubChem CID69456879
Molecular FormulaC28H23ClN6O
Molecular Weight494.99 g/mol
Exact Mass494.16
IUPAC Name1-(4-chlorophenyl)-3-[3-[8-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cn3ccnc3c(N3CCc4ccccc4C3)n2)c1
InChIInChI=1S/C28H23ClN6O/c29-22-8-10-23(11-9-22)31-28(36)32-24-7-3-6-20(16-24)25-18-35-15-13-30-26(35)27(33-25)34-14-12-19-4-1-2-5-21(19)17-34/h1-11,13,15-16,18H,12,14,17H2,(H2,31,32,36)
InChIKeyWVVCFWFNPGTGPC-UHFFFAOYSA-N
XLogP6.26
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.99
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[8-[2-(4-chlorophenyl)imidazol-1-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 10100197
4-chloro-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 10005816
2-(4-chlorophenyl)-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide
CID 10436182
1-[3-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)urea
CID 174490474
6-(3-chlorophenyl)-8-(4-pyridin-4-ylpiperazin-1-yl)imidazo[1,2-a]pyrazine
CID 45488436
1-(4-bromophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
CID 46879085
1-[3-[8-(benzylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46878646
N-(4-chlorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109350691
1-(3,4-difluorophenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 122285057
4-[[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]carbamoyl]benzoic acid
CID 11669556
1-(3-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
CID 11496099
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CID 109213897

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-[8-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-[8-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea (CID 69456879) is 1-(4-chlorophenyl)-3-[3-[8-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-[8-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-[8-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cn3ccnc3c(N3CCc4ccccc4C3)n2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-[8-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?
The InChIKey is WVVCFWFNPGTGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN6O/c29-22-8-10-23(11-9-22)31-28(36)32-24-7-3-6-20(16-24)25-18-35-15-13-30-26(35)27(33-25)34-14-12-19-4-1-2-5-21(19)17-34/h1-11,13,15-16,18H,12,14,17H2,(H2,31,32,36).
What are the key properties of 1-(4-chlorophenyl)-3-[3-[8-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?
1-(4-chlorophenyl)-3-[3-[8-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea has a molecular weight of 494.99 g/mol, XLogP of 6.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-[8-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea is sourced from PubChem (CID 69456879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).