2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propan-1-amine;2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propanoic acid;bis(N-[2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propyl]-2,2,2-trifluoroacetamide)

C100H95F6N11O4 — CID 158259551

IUPAC2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propan-1-amine;2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propanoic acid;bis(N-[2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propyl]-2,2,2-trifluoroacetamide)
SMILESCC(C)(C(=O)O)C(c1ccccc1)c1ccn2c(-c3ccccc3)ncc2c1.CC(C)(CN)C(c1ccccc1)c1ccn2c(-c3ccccc3)ncc2c1.CC(C)(CNC(=O)C(F)(F)F)C(c1ccccc1)c1ccn2c(-c3ccccc3)ncc2c1.CC(C)(CNC(=O)C(F)(F)F)C(c1ccccc1)c1ccn2c(-c3ccccc3)ncc2c1
InChIInChI=1S/2C26H24F3N3O.C24H25N3.C24H22N2O2/c2*1-25(2,17-31-24(33)26(27,28)29)22(18-9-5-3-6-10-18)20-13-14-32-21(15-20)16-30-23(32)19-11-7-4-8-12-19;1-24(2,17-25)22(18-9-5-3-6-10-18)20-13-14-27-21(15-20)16-26-23(27)19-11-7-4-8-12-19;1-24(2,23(27)28)21(17-9-5-3-6-10-17)19-13-14-26-20(15-19)16-25-22(26)18-11-7-4-8-12-18/h2*3-16,22H,17H2,1-2H3,(H,31,33);3-16,22H,17,25H2,1-2H3;3-16,21H,1-2H3,(H,27,28)
InChIKeyGHSBOVGTIMIMMO-UHFFFAOYSA-N
MW1628.92 g/mol
LogP22.04
Rot. Bonds22

About 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propan-1-amine;2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propanoic acid;bis(N-[2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propyl]-2,2,2-trifluoroacetamide)

2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propan-1-amine;2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propanoic acid;bis(N-[2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propyl]-2,2,2-trifluoroacetamide) (PubChem CID 158259551) has the molecular formula C100H95F6N11O4 and a molecular weight of 1628.92 g/mol. Its IUPAC name is 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propan-1-amine;2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propanoic acid;bis(N-[2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propyl]-2,2,2-trifluoroacetamide).

Molecular Properties

Compound Name2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propan-1-amine;2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propanoic acid;bis(N-[2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propyl]-2,2,2-trifluoroacetamide)
PubChem CID158259551
Molecular FormulaC100H95F6N11O4
Molecular Weight1628.92 g/mol
Exact Mass1627.75
IUPAC Name2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propan-1-amine;2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propanoic acid;bis(N-[2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propyl]-2,2,2-trifluoroacetamide)
SMILESCC(C)(C(=O)O)C(c1ccccc1)c1ccn2c(-c3ccccc3)ncc2c1.CC(C)(CN)C(c1ccccc1)c1ccn2c(-c3ccccc3)ncc2c1.CC(C)(CNC(=O)C(F)(F)F)C(c1ccccc1)c1ccn2c(-c3ccccc3)ncc2c1.CC(C)(CNC(=O)C(F)(F)F)C(c1ccccc1)c1ccn2c(-c3ccccc3)ncc2c1
InChIInChI=1S/2C26H24F3N3O.C24H25N3.C24H22N2O2/c2*1-25(2,17-31-24(33)26(27,28)29)22(18-9-5-3-6-10-18)20-13-14-32-21(15-20)16-30-23(32)19-11-7-4-8-12-19;1-24(2,17-25)22(18-9-5-3-6-10-18)20-13-14-27-21(15-20)16-26-23(27)19-11-7-4-8-12-19;1-24(2,23(27)28)21(17-9-5-3-6-10-17)19-13-14-26-20(15-19)16-25-22(26)18-11-7-4-8-12-18/h2*3-16,22H,17H2,1-2H3,(H,31,33);3-16,22H,17,25H2,1-2H3;3-16,21H,1-2H3,(H,27,28)
InChIKeyGHSBOVGTIMIMMO-UHFFFAOYSA-N
XLogP22.04
TPSA190.72 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001628.92
LogP ≤ 522.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propan-1-amine;2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propanoic acid;bis(N-[2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propyl]-2,2,2-trifluoroacetamide) with MolForge

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Related Compounds

2-(1H-benzimidazol-2-ylamino)-3-[[4-[[2-(1H-benzimidazol-2-ylamino)-5-oxo-4,4-dipyridin-2-ylimidazolidin-1-yl]methyl]phenyl]methyl]-5,5-dipyridin-2-ylimidazolidin-4-one;bis(2,2,2-trifluoroacetic acid)
CID 88173298
2-(1H-benzimidazol-2-ylamino)-3-[[6-[[2-(1H-benzimidazol-2-ylamino)-5-oxo-4,4-dipyridin-2-ylimidazolidin-1-yl]methyl]-2-pyridinyl]methyl]-5,5-dipyridin-2-ylimidazolidin-4-one;bis(2,2,2-trifluoroacetic acid)
CID 88180626
4-[8-amino-7-[5-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-[2-(trifluoromethyl)prop-2-enoyl]pyrrolidin-3-yl]-3-(1-but-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-7-ium-1-yl]-N-pyridin-2-ylbenzamide
CID 123398222
(2S)-2-[[2-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]amino]-3-phenylpropanoic acid
CID 142462928
2-Methyl-8-[8-[1-oxo-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-3-yl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 145391102
3-[[6-[3-[4-[(3-carboxy-2-bicyclo[2.2.2]octanyl)amino]-5-phenylpyrrolo[3,2-d]pyrimidin-2-yl]-5-fluoropyrrolo[2,3-b]pyridin-1-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 149591510
4-[2-[2-[[3-[3-[[2-(difluoromethyl)-7-[(3-methylpyrrolidin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 156237370
(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-phenylpropyl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(3,4-difluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(3,5-difluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-(5-fluorobenzimidazol-1-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-pyridin-2-ylpropyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid
CID 157646953
2-[(2R,5R)-2-[(2-chloroimidazol-1-yl)methyl]-5-methylpiperazin-1-yl]-1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]ethanone;2-[(2R,5R)-2-[(2,4-dimethylimidazol-1-yl)methyl]-5-methylpiperazin-1-yl]-1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]ethanone;1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-(imidazol-1-ylmethyl)-5-methylpiperazin-1-yl]ethanone;1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-5-methyl-2-[[2-(trifluoromethyl)imidazol-1-yl]methyl]piperazin-1-yl]ethanone
CID 157670004
[(3R,4R)-4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;[(3S,4S)-4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 158186289
(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(3,3-difluoro-3-phenylpropyl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(3,4-difluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(3,5-difluorophenyl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-(5-fluorobenzimidazol-1-yl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-pyridin-2-ylpropyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;methane
CID 158356067
4-[8-amino-1-(7-cyano-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
CID 158404156

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propan-1-amine;2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propanoic acid;bis(N-[2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propyl]-2,2,2-trifluoroacetamide)?
The IUPAC name of 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propan-1-amine;2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propanoic acid;bis(N-[2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propyl]-2,2,2-trifluoroacetamide) (CID 158259551) is 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propan-1-amine;2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propanoic acid;bis(N-[2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propyl]-2,2,2-trifluoroacetamide).
What is the SMILES notation for 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propan-1-amine;2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propanoic acid;bis(N-[2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propyl]-2,2,2-trifluoroacetamide)?
The canonical SMILES for 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propan-1-amine;2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propanoic acid;bis(N-[2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propyl]-2,2,2-trifluoroacetamide) is CC(C)(C(=O)O)C(c1ccccc1)c1ccn2c(-c3ccccc3)ncc2c1.CC(C)(CN)C(c1ccccc1)c1ccn2c(-c3ccccc3)ncc2c1.CC(C)(CNC(=O)C(F)(F)F)C(c1ccccc1)c1ccn2c(-c3ccccc3)ncc2c1.CC(C)(CNC(=O)C(F)(F)F)C(c1ccccc1)c1ccn2c(-c3ccccc3)ncc2c1.
What is the InChIKey of 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propan-1-amine;2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propanoic acid;bis(N-[2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propyl]-2,2,2-trifluoroacetamide)?
The InChIKey is GHSBOVGTIMIMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H24F3N3O.C24H25N3.C24H22N2O2/c2*1-25(2,17-31-24(33)26(27,28)29)22(18-9-5-3-6-10-18)20-13-14-32-21(15-20)16-30-23(32)19-11-7-4-8-12-19;1-24(2,17-25)22(18-9-5-3-6-10-18)20-13-14-27-21(15-20)16-26-23(27)19-11-7-4-8-12-19;1-24(2,23(27)28)21(17-9-5-3-6-10-17)19-13-14-26-20(15-19)16-25-22(26)18-11-7-4-8-12-18/h2*3-16,22H,17H2,1-2H3,(H,31,33);3-16,22H,17,25H2,1-2H3;3-16,21H,1-2H3,(H,27,28).
What are the key properties of 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propan-1-amine;2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propanoic acid;bis(N-[2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propyl]-2,2,2-trifluoroacetamide)?
2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propan-1-amine;2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propanoic acid;bis(N-[2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propyl]-2,2,2-trifluoroacetamide) has a molecular weight of 1628.92 g/mol, XLogP of 22.04, 22 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propan-1-amine;2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propanoic acid;bis(N-[2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)propyl]-2,2,2-trifluoroacetamide) is sourced from PubChem (CID 158259551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).