7-benzyl-2-chloro-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine;pyrrolidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

C78H93Cl3N18O4 — CID 167545766

IUPAC7-benzyl-2-chloro-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine;pyrrolidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
SMILESC1CCNC1.COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc4c(c(N5CCCC5)n3)CCN(Cc3ccccc3)C4)c2)cc(C)c1C.Clc1nc(Cl)c2c(n1)CN(Cc1ccccc1)CC2.Clc1nc2c(c(N3CCCC3)n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C30H35N7O.C18H21ClN4.C14H13Cl2N3.C12H15N3O3.C4H9N/c1-21-15-24(16-27(38-3)22(21)2)37-19-28(31-20-37)33-30-32-26-18-35(17-23-9-5-4-6-10-23)14-11-25(26)29(34-30)36-12-7-8-13-36;19-18-20-16-13-22(12-14-6-2-1-3-7-14)11-8-15(16)17(21-18)23-9-4-5-10-23;15-13-11-6-7-19(8-10-4-2-1-3-5-10)9-12(11)17-14(16)18-13;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;1-2-4-5-3-1/h4-6,9-10,15-16,19-20H,7-8,11-14,17-18H2,1-3H3,(H,32,33,34);1-3,6-7H,4-5,8-13H2;1-5H,6-9H2;4-7H,13H2,1-3H3;5H,1-4H2
InChIKeyBTPKKWBCFZIDBL-UHFFFAOYSA-N
MW1453.08 g/mol
LogP13.67
Rot. Bonds16

About 7-benzyl-2-chloro-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine;pyrrolidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

7-benzyl-2-chloro-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine;pyrrolidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (PubChem CID 167545766) has the molecular formula C78H93Cl3N18O4 and a molecular weight of 1453.08 g/mol. Its IUPAC name is 7-benzyl-2-chloro-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine;pyrrolidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

Molecular Properties

Compound Name7-benzyl-2-chloro-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine;pyrrolidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
PubChem CID167545766
Molecular FormulaC78H93Cl3N18O4
Molecular Weight1453.08 g/mol
Exact Mass1450.67
IUPAC Name7-benzyl-2-chloro-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine;pyrrolidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
SMILESC1CCNC1.COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc4c(c(N5CCCC5)n3)CCN(Cc3ccccc3)C4)c2)cc(C)c1C.Clc1nc(Cl)c2c(n1)CN(Cc1ccccc1)CC2.Clc1nc2c(c(N3CCCC3)n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C30H35N7O.C18H21ClN4.C14H13Cl2N3.C12H15N3O3.C4H9N/c1-21-15-24(16-27(38-3)22(21)2)37-19-28(31-20-37)33-30-32-26-18-35(17-23-9-5-4-6-10-23)14-11-25(26)29(34-30)36-12-7-8-13-36;19-18-20-16-13-22(12-14-6-2-1-3-7-14)11-8-15(16)17(21-18)23-9-4-5-10-23;15-13-11-6-7-19(8-10-4-2-1-3-5-10)9-12(11)17-14(16)18-13;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;1-2-4-5-3-1/h4-6,9-10,15-16,19-20H,7-8,11-14,17-18H2,1-3H3,(H,32,33,34);1-3,6-7H,4-5,8-13H2;1-5H,6-9H2;4-7H,13H2,1-3H3;5H,1-4H2
InChIKeyBTPKKWBCFZIDBL-UHFFFAOYSA-N
XLogP13.67
TPSA216.18 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001453.08
LogP ≤ 513.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 7-benzyl-2-chloro-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine;pyrrolidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine with MolForge

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,5-dimethylimidazo[1,2-a]pyridin-3-amine;2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 157668737
[(2S)-1-[2-chloro-7-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-2-yl]methanol;2,4-dichloro-7-(trifluoromethyl)quinazoline;[(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-7-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167590701
tert-butyl 2-chloro-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;tert-butyl 4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;dichloromethane;[(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;2,2,2-trifluoroacetic acid;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167590725
tert-butyl 4-[(2R)-2-carbamoylcyclopentyl]-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;tert-butyl 4-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;dichloromethane;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167594779
[(2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-4,4-difluoro-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride
CID 167660171
2-chloro-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;trifluoromethylcyclopentane;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167666835
2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;[(2S)-pyrrolidin-2-yl]methanol;[(2S)-1-[7-(trifluoromethyl)-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167702552
tert-butyl 4-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 4-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;tert-butyl 2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate;dichloromethane;(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167702723
bis(7-benzyl-4-chloro-2,5-dimethylpyrrolo[3,2-d]pyrimidine);7-benzyl-4-chloro-2-methyl-5H-cyclopenta[d]pyrimidine;1-(7-benzyl-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)-6-methoxy-3,4-dihydro-2H-quinoline;7-benzyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;7-benzyl-N-(4-methoxyphenyl)-N,2,5-trimethylpyrrolo[3,2-d]pyrimidin-4-amine;ethane;bis(4-ethylaniline)
CID 157211182
5-(4-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine;6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 157302237
bis(7-benzyl-4-chloro-2,5-dimethylpyrrolo[3,2-d]pyrimidine);7-benzyl-4-chloro-2-methyl-5H-cyclopenta[d]pyrimidine;1-(7-benzyl-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)-6-methoxy-3,4-dihydro-2H-quinoline;7-benzyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;7-benzyl-N-(4-methoxyphenyl)-N,2,5-trimethylpyrrolo[3,2-d]pyrimidin-4-amine;4-methoxyaniline;4-methoxy-N-methylaniline
CID 157492631
2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyrimidin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethylphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-pyridinyl)-7-methylimidazo[1,2-a]pyridin-3-amine
CID 159228668

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2-chloro-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine;pyrrolidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
The IUPAC name of 7-benzyl-2-chloro-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine;pyrrolidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (CID 167545766) is 7-benzyl-2-chloro-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine;pyrrolidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.
What is the SMILES notation for 7-benzyl-2-chloro-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine;pyrrolidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
The canonical SMILES for 7-benzyl-2-chloro-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine;pyrrolidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is C1CCNC1.COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc4c(c(N5CCCC5)n3)CCN(Cc3ccccc3)C4)c2)cc(C)c1C.Clc1nc(Cl)c2c(n1)CN(Cc1ccccc1)CC2.Clc1nc2c(c(N3CCCC3)n1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 7-benzyl-2-chloro-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine;pyrrolidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
The InChIKey is BTPKKWBCFZIDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O.C18H21ClN4.C14H13Cl2N3.C12H15N3O3.C4H9N/c1-21-15-24(16-27(38-3)22(21)2)37-19-28(31-20-37)33-30-32-26-18-35(17-23-9-5-4-6-10-23)14-11-25(26)29(34-30)36-12-7-8-13-36;19-18-20-16-13-22(12-14-6-2-1-3-7-14)11-8-15(16)17(21-18)23-9-4-5-10-23;15-13-11-6-7-19(8-10-4-2-1-3-5-10)9-12(11)17-14(16)18-13;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;1-2-4-5-3-1/h4-6,9-10,15-16,19-20H,7-8,11-14,17-18H2,1-3H3,(H,32,33,34);1-3,6-7H,4-5,8-13H2;1-5H,6-9H2;4-7H,13H2,1-3H3;5H,1-4H2.
What are the key properties of 7-benzyl-2-chloro-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine;pyrrolidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?
7-benzyl-2-chloro-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine;pyrrolidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine has a molecular weight of 1453.08 g/mol, XLogP of 13.67, 16 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2-chloro-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-benzyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine;pyrrolidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 167545766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).