bis(1-[4-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea);1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;methane

C84H86N18O3 — CID 160676850

IUPACbis(1-[4-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea);1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;methane
SMILESC.Cc1cccc(NC(=O)Nc2ccc(-c3nc(C(C)(C)C)n4ccnc(N)c34)c3ccccc23)c1.Cc1cccc(NC(=O)Nc2ccc(-c3nc(C(C)(C)C)n4ccnc(N)c34)c3ccccc23)c1.Cc1cccc(NC(=O)Nc2ccc(-c3nc(C(C)C)n4ccnc(N)c34)c3ccccc23)c1
InChIInChI=1S/2C28H28N6O.C27H26N6O.CH4/c2*1-17-8-7-9-18(16-17)31-27(35)32-22-13-12-21(19-10-5-6-11-20(19)22)23-24-25(29)30-14-15-34(24)26(33-23)28(2,3)4;1-16(2)26-32-23(24-25(28)29-13-14-33(24)26)21-11-12-22(20-10-5-4-9-19(20)21)31-27(34)30-18-8-6-7-17(3)15-18;/h2*5-16H,1-4H3,(H2,29,30)(H2,31,32,35);4-16H,1-3H3,(H2,28,29)(H2,30,31,34);1H4
InChIKeyRNQICMNSNQJHKG-UHFFFAOYSA-N
MW1395.73 g/mol
LogP19.61
Rot. Bonds10

About bis(1-[4-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea);1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;methane

bis(1-[4-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea);1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;methane (PubChem CID 160676850) has the molecular formula C84H86N18O3 and a molecular weight of 1395.73 g/mol. Its IUPAC name is bis(1-[4-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea);1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;methane.

Molecular Properties

Compound Namebis(1-[4-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea);1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;methane
PubChem CID160676850
Molecular FormulaC84H86N18O3
Molecular Weight1395.73 g/mol
Exact Mass1394.71
IUPAC Namebis(1-[4-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea);1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;methane
SMILESC.Cc1cccc(NC(=O)Nc2ccc(-c3nc(C(C)(C)C)n4ccnc(N)c34)c3ccccc23)c1.Cc1cccc(NC(=O)Nc2ccc(-c3nc(C(C)(C)C)n4ccnc(N)c34)c3ccccc23)c1.Cc1cccc(NC(=O)Nc2ccc(-c3nc(C(C)C)n4ccnc(N)c34)c3ccccc23)c1
InChIInChI=1S/2C28H28N6O.C27H26N6O.CH4/c2*1-17-8-7-9-18(16-17)31-27(35)32-22-13-12-21(19-10-5-6-11-20(19)22)23-24-25(29)30-14-15-34(24)26(33-23)28(2,3)4;1-16(2)26-32-23(24-25(28)29-13-14-33(24)26)21-11-12-22(20-10-5-4-9-19(20)21)31-27(34)30-18-8-6-7-17(3)15-18;/h2*5-16H,1-4H3,(H2,29,30)(H2,31,32,35);4-16H,1-3H3,(H2,28,29)(H2,30,31,34);1H4
InChIKeyRNQICMNSNQJHKG-UHFFFAOYSA-N
XLogP19.61
TPSA292.02 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001395.73
LogP ≤ 519.61
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Analyze bis(1-[4-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea);1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;methane with MolForge

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Related Compounds

1-[4-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 73425700
1-[4-[8-amino-3-[(2R)-butan-2-yl]imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 129228964
1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 129228976
5-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-4-fluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 178092876
1-(3-methylphenyl)-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)urea
CID 11428281
[2-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)-4-methoxyphenyl]methanol
CID 167956292
1-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenyl)urea
CID 166636712
1-[4-[3-amino-7-(3-amino-3-methylbutoxy)-1H-indazol-4-yl]naphthalen-1-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[4-[3-amino-7-(3-amino-3-methylbutoxy)-1H-indazol-4-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea
CID 161366958
3-tert-butyl-1-pyridin-3-ylimidazo[1,5-a]pyrazin-8-amine
CID 126822618
1-(7-hydroxynaphthalen-1-yl)-3-(3-methylphenyl)urea
CID 54581579
2-[2-[(3-methylphenyl)carbamoylamino]phenyl]sulfanylacetamide
CID 7997045
1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(3-methylphenyl)urea
CID 23996835

Frequently Asked Questions

What is the IUPAC name of bis(1-[4-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea);1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;methane?
The IUPAC name of bis(1-[4-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea);1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;methane (CID 160676850) is bis(1-[4-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea);1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;methane.
What is the SMILES notation for bis(1-[4-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea);1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;methane?
The canonical SMILES for bis(1-[4-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea);1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;methane is C.Cc1cccc(NC(=O)Nc2ccc(-c3nc(C(C)(C)C)n4ccnc(N)c34)c3ccccc23)c1.Cc1cccc(NC(=O)Nc2ccc(-c3nc(C(C)(C)C)n4ccnc(N)c34)c3ccccc23)c1.Cc1cccc(NC(=O)Nc2ccc(-c3nc(C(C)C)n4ccnc(N)c34)c3ccccc23)c1.
What is the InChIKey of bis(1-[4-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea);1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;methane?
The InChIKey is RNQICMNSNQJHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H28N6O.C27H26N6O.CH4/c2*1-17-8-7-9-18(16-17)31-27(35)32-22-13-12-21(19-10-5-6-11-20(19)22)23-24-25(29)30-14-15-34(24)26(33-23)28(2,3)4;1-16(2)26-32-23(24-25(28)29-13-14-33(24)26)21-11-12-22(20-10-5-4-9-19(20)21)31-27(34)30-18-8-6-7-17(3)15-18;/h2*5-16H,1-4H3,(H2,29,30)(H2,31,32,35);4-16H,1-3H3,(H2,28,29)(H2,30,31,34);1H4.
What are the key properties of bis(1-[4-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea);1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;methane?
bis(1-[4-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea);1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;methane has a molecular weight of 1395.73 g/mol, XLogP of 19.61, 10 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[4-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea);1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;methane is sourced from PubChem (CID 160676850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).