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

C83H82N18O3 — CID 158022025

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
SMILESCc1cccc(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/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)
InChIKeyFGECJESZQSRDHL-UHFFFAOYSA-N
MW1379.69 g/mol
LogP18.97
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

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 (PubChem CID 158022025) has the molecular formula C83H82N18O3 and a molecular weight of 1379.69 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.

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
PubChem CID158022025
Molecular FormulaC83H82N18O3
Molecular Weight1379.69 g/mol
Exact Mass1378.68
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
SMILESCc1cccc(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/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)
InChIKeyFGECJESZQSRDHL-UHFFFAOYSA-N
XLogP18.97
TPSA292.02 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001379.69
LogP ≤ 518.97
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 with MolForge

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Related Compounds

Kira6
CID 73425700
N-{4-[8-Amino-3-(Propan-2-Yl)imidazo[1,5-A]pyrazin-1-Yl]naphthalen-1-Yl}-N'-[3-(Trifluoromethyl)phenyl]urea
CID 60196244
1-[4-(8-Amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 121596786
1-[4-(8-Amino-3-cyclopropylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 121596787
Kira-7
CID 121596794
rac 3-(1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylamino)ethyl)-N-(naphthalen-1-yl)piperidine-1-carboxamide
CID 18332650
(S)-3-((S)-1-(4-(5-(3-ethyl-2-oxoimidazolidin-1-yl)-1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylamino)ethyl)-4-methyl-N-(naphthalen-1-yl)piperazine-1-carboxamide
CID 20703609
3-(1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylamino)ethyl)-4-methyl-N-(naphthalen-1-yl)piperazine-1-carboxamide
CID 20703628
(3S)-4-methyl-N-naphthalen-1-yl-3-[(1S)-1-[[4-(5-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperazine-1-carboxamide
CID 44555415
(S)-3-((S)-1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylamino)ethyl)-4-methyl-N-(naphthalen-1-yl)piperazine-1-carboxamide
CID 45486775
(S)-3-((S)-1-(4-(5-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylamino)ethyl)-4-methyl-N-(naphthalen-1-yl)piperazine-1-carboxamide
CID 45486776
(S)-3-((S)-1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylamino)ethyl)-4-ethyl-N-(naphthalen-1-yl)piperazine-1-carboxamide
CID 45486793

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?
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 (CID 158022025) 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.
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?
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 is 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?
The InChIKey is FGECJESZQSRDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H28N6O.C27H26N6O/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).
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?
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 has a molecular weight of 1379.69 g/mol, XLogP of 18.97, 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 is sourced from PubChem (CID 158022025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).