3-tert-butylpyrrolo[1,2-c]pyrimidine;6-propan-2-ylfuro[3,2-c]pyridine;6-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-c]pyrimidine;3-propan-2-ylpyrrolo[1,2-a]pyrazine

C49H59N11O — CID 164961694

IUPAC3-tert-butylpyrrolo[1,2-c]pyrimidine;6-propan-2-ylfuro[3,2-c]pyridine;6-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-c]pyrimidine;3-propan-2-ylpyrrolo[1,2-a]pyrazine
SMILESCC(C)(C)c1cc2cccn2cn1.CC(C)c1cc2nccn2cn1.CC(C)c1cc2occc2cn1.CC(C)c1cn2cccc2cn1.CC(C)c1cn2ccnc2cn1
InChIInChI=1S/C11H14N2.C10H12N2.C10H11NO.2C9H11N3/c1-11(2,3)10-7-9-5-4-6-13(9)8-12-10;1-8(2)10-7-12-5-3-4-9(12)6-11-10;1-7(2)9-5-10-8(6-11-9)3-4-12-10;1-7(2)8-6-12-4-3-10-9(12)5-11-8;1-7(2)8-5-9-10-3-4-12(9)6-11-8/h4-8H,1-3H3;3-8H,1-2H3;3*3-7H,1-2H3
InChIKeyBXTINDQOFFDREK-UHFFFAOYSA-N
MW818.09 g/mol
LogP11.75
Rot. Bonds4

About 3-tert-butylpyrrolo[1,2-c]pyrimidine;6-propan-2-ylfuro[3,2-c]pyridine;6-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-c]pyrimidine;3-propan-2-ylpyrrolo[1,2-a]pyrazine

3-tert-butylpyrrolo[1,2-c]pyrimidine;6-propan-2-ylfuro[3,2-c]pyridine;6-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-c]pyrimidine;3-propan-2-ylpyrrolo[1,2-a]pyrazine (PubChem CID 164961694) has the molecular formula C49H59N11O and a molecular weight of 818.09 g/mol. Its IUPAC name is 3-tert-butylpyrrolo[1,2-c]pyrimidine;6-propan-2-ylfuro[3,2-c]pyridine;6-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-c]pyrimidine;3-propan-2-ylpyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-tert-butylpyrrolo[1,2-c]pyrimidine;6-propan-2-ylfuro[3,2-c]pyridine;6-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-c]pyrimidine;3-propan-2-ylpyrrolo[1,2-a]pyrazine
PubChem CID164961694
Molecular FormulaC49H59N11O
Molecular Weight818.09 g/mol
Exact Mass817.49
IUPAC Name3-tert-butylpyrrolo[1,2-c]pyrimidine;6-propan-2-ylfuro[3,2-c]pyridine;6-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-c]pyrimidine;3-propan-2-ylpyrrolo[1,2-a]pyrazine
SMILESCC(C)(C)c1cc2cccn2cn1.CC(C)c1cc2nccn2cn1.CC(C)c1cc2occc2cn1.CC(C)c1cn2cccc2cn1.CC(C)c1cn2ccnc2cn1
InChIInChI=1S/C11H14N2.C10H12N2.C10H11NO.2C9H11N3/c1-11(2,3)10-7-9-5-4-6-13(9)8-12-10;1-8(2)10-7-12-5-3-4-9(12)6-11-10;1-7(2)9-5-10-8(6-11-9)3-4-12-10;1-7(2)8-6-12-4-3-10-9(12)5-11-8;1-7(2)8-5-9-10-3-4-12(9)6-11-8/h4-8H,1-3H3;3-8H,1-2H3;3*3-7H,1-2H3
InChIKeyBXTINDQOFFDREK-UHFFFAOYSA-N
XLogP11.75
TPSA121.01 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500818.09
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-tert-butylpyrrolo[1,2-c]pyrimidine;6-propan-2-ylfuro[3,2-c]pyridine;6-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-c]pyrimidine;3-propan-2-ylpyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

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CID 146025705
N-ethyl-N-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenyl]furo[3,2-c]pyridin-4-amine
CID 146025706
9-ethyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-pyridin-3-ylpurin-6-amine
CID 168994704
2-(6-amino-3-pyridinyl)-9-ethyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]purin-6-amine
CID 176264262
1-(2H-dibenzofuran-2-id-3-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-phenyl-2H-imidazol-2-ide;3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4H-pyridin-4-ide;tetrakis(N-pyridin-2-ylpyridin-1-id-2-imine)
CID 158740741
3-cyclobutyl-N-[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]but-1-en-2-yl]-6-methylimidazo[4,5-b]pyridin-2-amine;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(furan-2-yl)propanamide;N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-2-yl)propanamide;(3R)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-phenylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide
CID 160750801
5-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[3-methyl-4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]pyrido[4,3-b]indole;5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole;9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indole;5-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;9-[4-(4-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole;9-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]pyrido[3,4-b]indole;bis(8-[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene)
CID 160828696
3-(3-Methoxypropyl)-1-benzofuran;3-(3-methoxypropyl)-2-methyl-1-benzofuran;1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine;1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole
CID 161163556
1-[1-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methyl]-6-methylpyrrolo[3,2-b]pyridin-3-yl]-4-hydroxybutan-1-one;1-[[6-(dimethylamino)-5-methylpyrimidin-4-yl]methyl]-6-methyl-N-propylpyrrolo[3,2-b]pyridine-3-carboxamide;N-(2-fluoropropyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide;1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methyl-N-(2-methylpropyl)pyrrolo[3,2-b]pyridine-3-carboxamide
CID 161753660
5-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[3-methyl-4-(2-methyl-4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]pyrido[4,3-b]indole;5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole;9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indole;5-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;9-[4-(4-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole;8-[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 162253280
2-[7-ethoxy-2-[(1S)-1-[(3S)-oxolan-3-yl]ethyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[1-[(3R)-oxolan-3-yl]ethyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 164983190

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylpyrrolo[1,2-c]pyrimidine;6-propan-2-ylfuro[3,2-c]pyridine;6-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-c]pyrimidine;3-propan-2-ylpyrrolo[1,2-a]pyrazine?
The IUPAC name of 3-tert-butylpyrrolo[1,2-c]pyrimidine;6-propan-2-ylfuro[3,2-c]pyridine;6-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-c]pyrimidine;3-propan-2-ylpyrrolo[1,2-a]pyrazine (CID 164961694) is 3-tert-butylpyrrolo[1,2-c]pyrimidine;6-propan-2-ylfuro[3,2-c]pyridine;6-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-c]pyrimidine;3-propan-2-ylpyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 3-tert-butylpyrrolo[1,2-c]pyrimidine;6-propan-2-ylfuro[3,2-c]pyridine;6-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-c]pyrimidine;3-propan-2-ylpyrrolo[1,2-a]pyrazine?
The canonical SMILES for 3-tert-butylpyrrolo[1,2-c]pyrimidine;6-propan-2-ylfuro[3,2-c]pyridine;6-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-c]pyrimidine;3-propan-2-ylpyrrolo[1,2-a]pyrazine is CC(C)(C)c1cc2cccn2cn1.CC(C)c1cc2nccn2cn1.CC(C)c1cc2occc2cn1.CC(C)c1cn2cccc2cn1.CC(C)c1cn2ccnc2cn1.
What is the InChIKey of 3-tert-butylpyrrolo[1,2-c]pyrimidine;6-propan-2-ylfuro[3,2-c]pyridine;6-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-c]pyrimidine;3-propan-2-ylpyrrolo[1,2-a]pyrazine?
The InChIKey is BXTINDQOFFDREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C10H12N2.C10H11NO.2C9H11N3/c1-11(2,3)10-7-9-5-4-6-13(9)8-12-10;1-8(2)10-7-12-5-3-4-9(12)6-11-10;1-7(2)9-5-10-8(6-11-9)3-4-12-10;1-7(2)8-6-12-4-3-10-9(12)5-11-8;1-7(2)8-5-9-10-3-4-12(9)6-11-8/h4-8H,1-3H3;3-8H,1-2H3;3*3-7H,1-2H3.
What are the key properties of 3-tert-butylpyrrolo[1,2-c]pyrimidine;6-propan-2-ylfuro[3,2-c]pyridine;6-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-c]pyrimidine;3-propan-2-ylpyrrolo[1,2-a]pyrazine?
3-tert-butylpyrrolo[1,2-c]pyrimidine;6-propan-2-ylfuro[3,2-c]pyridine;6-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-c]pyrimidine;3-propan-2-ylpyrrolo[1,2-a]pyrazine has a molecular weight of 818.09 g/mol, XLogP of 11.75, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylpyrrolo[1,2-c]pyrimidine;6-propan-2-ylfuro[3,2-c]pyridine;6-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-c]pyrimidine;3-propan-2-ylpyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 164961694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).