5-benzyl-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine;1-[3-[[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]amino]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-one;N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-5-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine

C82H93N19O4 — CID 157085255

IUPAC5-benzyl-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine;1-[3-[[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]amino]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-one;N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-5-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine
SMILESCCC(=O)N1CC2=C(C1)C(Nc1cc(-c3ccccc3)nc(N3CCC[C@H]3COC)n1)=NC2.COC[C@@H]1CCCN1c1nc(NC2=NCC3=C2CN(Cc2ccccc2)C3)cc(-c2ccccc2)n1.COC[C@@H]1CCCN1c1nc(NC2=NCC3=C2CN(Cc2ccccn2)C3)cc(-c2ccccc2)n1
InChIInChI=1S/C29H32N6O.C28H31N7O.C25H30N6O2/c1-36-20-24-13-8-14-35(24)29-31-26(22-11-6-3-7-12-22)15-27(33-29)32-28-25-19-34(18-23(25)16-30-28)17-21-9-4-2-5-10-21;1-36-19-23-11-7-13-35(23)28-31-25(20-8-3-2-4-9-20)14-26(33-28)32-27-24-18-34(16-21(24)15-30-27)17-22-10-5-6-12-29-22;1-3-23(32)30-14-18-13-26-24(20(18)15-30)28-22-12-21(17-8-5-4-6-9-17)27-25(29-22)31-11-7-10-19(31)16-33-2/h2-7,9-12,15,24H,8,13-14,16-20H2,1H3,(H,30,31,32,33);2-6,8-10,12,14,23H,7,11,13,15-19H2,1H3,(H,30,31,32,33);4-6,8-9,12,19H,3,7,10-11,13-16H2,1-2H3,(H,26,27,28,29)/t24-;23-;19-/m000/s1
InChIKeyADZYOULEBIUKSS-WDHOTWATSA-N
MW1408.77 g/mol
LogP11.32
Rot. Bonds20

About 5-benzyl-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine;1-[3-[[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]amino]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-one;N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-5-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine

5-benzyl-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine;1-[3-[[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]amino]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-one;N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-5-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine (PubChem CID 157085255) has the molecular formula C82H93N19O4 and a molecular weight of 1408.77 g/mol. Its IUPAC name is 5-benzyl-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine;1-[3-[[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]amino]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-one;N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-5-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine.

Molecular Properties

Compound Name5-benzyl-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine;1-[3-[[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]amino]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-one;N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-5-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine
PubChem CID157085255
Molecular FormulaC82H93N19O4
Molecular Weight1408.77 g/mol
Exact Mass1407.77
IUPAC Name5-benzyl-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine;1-[3-[[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]amino]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-one;N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-5-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine
SMILESCCC(=O)N1CC2=C(C1)C(Nc1cc(-c3ccccc3)nc(N3CCC[C@H]3COC)n1)=NC2.COC[C@@H]1CCCN1c1nc(NC2=NCC3=C2CN(Cc2ccccc2)C3)cc(-c2ccccc2)n1.COC[C@@H]1CCCN1c1nc(NC2=NCC3=C2CN(Cc2ccccn2)C3)cc(-c2ccccc2)n1
InChIInChI=1S/C29H32N6O.C28H31N7O.C25H30N6O2/c1-36-20-24-13-8-14-35(24)29-31-26(22-11-6-3-7-12-22)15-27(33-29)32-28-25-19-34(18-23(25)16-30-28)17-21-9-4-2-5-10-21;1-36-19-23-11-7-13-35(23)28-31-25(20-8-3-2-4-9-20)14-26(33-28)32-27-24-18-34(16-21(24)15-30-27)17-22-10-5-6-12-29-22;1-3-23(32)30-14-18-13-26-24(20(18)15-30)28-22-12-21(17-8-5-4-6-9-17)27-25(29-22)31-11-7-10-19(31)16-33-2/h2-7,9-12,15,24H,8,13-14,16-20H2,1H3,(H,30,31,32,33);2-6,8-10,12,14,23H,7,11,13,15-19H2,1H3,(H,30,31,32,33);4-6,8-9,12,19H,3,7,10-11,13-16H2,1-2H3,(H,26,27,28,29)/t24-;23-;19-/m000/s1
InChIKeyADZYOULEBIUKSS-WDHOTWATSA-N
XLogP11.32
TPSA227.60 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001408.77
LogP ≤ 511.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 5-benzyl-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine;1-[3-[[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]amino]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-one;N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-5-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine with MolForge

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Launch Full Analysis

Related Compounds

3-Methoxy-1-[3-[2-[1-[3-[2-[2-[[1-methyl-4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-2-yl]methyl]pyrrolidin-1-yl]-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethyl]-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 123965268
1-[3-[2-[1-[3-[2-(2,3-dimethylpyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethyl]-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-3-methoxypropan-1-one;ethane;2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 144740160
ethane;2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;1-[4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 144740256
2-[2-(diethylamino)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(dimethylamino)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-[[(3S)-oxolan-3-yl]amino]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-pyrrolidin-1-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158064534
2-[2-[[(2R)-1-methoxypropan-2-yl]amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(oxan-4-ylamino)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-[[(3S)-oxolan-3-yl]amino]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(oxolan-2-ylmethylamino)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 159981275
1-[2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(2,2,2-trifluoroethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-(trifluoromethyl)-4-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 160963264
3-tert-butyl-5-[[(3S)-3-methyloxan-4-yl]methyl]pyridine;3-tert-butyl-5-[[(3R)-3-methyloxan-4-yl]methyl]pyridine;4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine
CID 161678810
1-[2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-quinolin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-quinolin-5-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;sulfane
CID 162182633
2-[4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(2,2,2-trifluoroethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-(trifluoromethyl)-4-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
CID 164986768
2-[2-[[(2R)-1-methoxypropan-2-yl]amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(oxan-4-ylamino)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(oxolan-3-ylamino)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(oxolan-2-ylmethylamino)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 167634211
(E)-1-[(3R)-3-[[7-(3-amino-8-fluoroisoquinolin-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-methylamino]pyrrolidin-1-yl]-4-morpholin-4-ylbut-2-en-1-one
CID 170704107
1-[3-[[7-[6-Amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-methylamino]pyrrolidin-1-yl]-4-morpholin-4-ylbut-2-yn-1-one
CID 170704187

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine;1-[3-[[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]amino]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-one;N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-5-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine?
The IUPAC name of 5-benzyl-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine;1-[3-[[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]amino]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-one;N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-5-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine (CID 157085255) is 5-benzyl-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine;1-[3-[[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]amino]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-one;N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-5-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine.
What is the SMILES notation for 5-benzyl-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine;1-[3-[[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]amino]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-one;N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-5-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine?
The canonical SMILES for 5-benzyl-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine;1-[3-[[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]amino]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-one;N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-5-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine is CCC(=O)N1CC2=C(C1)C(Nc1cc(-c3ccccc3)nc(N3CCC[C@H]3COC)n1)=NC2.COC[C@@H]1CCCN1c1nc(NC2=NCC3=C2CN(Cc2ccccc2)C3)cc(-c2ccccc2)n1.COC[C@@H]1CCCN1c1nc(NC2=NCC3=C2CN(Cc2ccccn2)C3)cc(-c2ccccc2)n1.
What is the InChIKey of 5-benzyl-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine;1-[3-[[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]amino]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-one;N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-5-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine?
The InChIKey is ADZYOULEBIUKSS-WDHOTWATSA-N. The full InChI is InChI=1S/C29H32N6O.C28H31N7O.C25H30N6O2/c1-36-20-24-13-8-14-35(24)29-31-26(22-11-6-3-7-12-22)15-27(33-29)32-28-25-19-34(18-23(25)16-30-28)17-21-9-4-2-5-10-21;1-36-19-23-11-7-13-35(23)28-31-25(20-8-3-2-4-9-20)14-26(33-28)32-27-24-18-34(16-21(24)15-30-27)17-22-10-5-6-12-29-22;1-3-23(32)30-14-18-13-26-24(20(18)15-30)28-22-12-21(17-8-5-4-6-9-17)27-25(29-22)31-11-7-10-19(31)16-33-2/h2-7,9-12,15,24H,8,13-14,16-20H2,1H3,(H,30,31,32,33);2-6,8-10,12,14,23H,7,11,13,15-19H2,1H3,(H,30,31,32,33);4-6,8-9,12,19H,3,7,10-11,13-16H2,1-2H3,(H,26,27,28,29)/t24-;23-;19-/m000/s1.
What are the key properties of 5-benzyl-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine;1-[3-[[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]amino]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-one;N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-5-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine?
5-benzyl-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine;1-[3-[[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]amino]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-one;N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-5-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine has a molecular weight of 1408.77 g/mol, XLogP of 11.32, 20 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine;1-[3-[[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]amino]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-one;N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]-5-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-amine is sourced from PubChem (CID 157085255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).