2-chloro-4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1R)-2-[4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(4-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol

C61H64Cl3N17O4 — CID 167579792

IUPAC2-chloro-4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1R)-2-[4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(4-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol
SMILESCOc1ccc(-n2cnc(Cc3nc(C4CCC[C@H]4CO)nn4cccc34)c2)cc1.COc1ccc(-n2cnc(Cc3nc(Cl)nn4cccc34)c2)cc1.Cc1ccc(-n2cnc(N)c2)cc1.Clc1nc(Cl)c2cccn2n1.OC[C@@H]1CCCN1
InChIInChI=1S/C23H25N5O2.C17H14ClN5O.C10H11N3.C6H3Cl2N3.C5H11NO/c1-30-19-9-7-18(8-10-19)27-13-17(24-15-27)12-21-22-6-3-11-28(22)26-23(25-21)20-5-2-4-16(20)14-29;1-24-14-6-4-13(5-7-14)22-10-12(19-11-22)9-15-16-3-2-8-23(16)21-17(18)20-15;1-8-2-4-9(5-3-8)13-6-10(11)12-7-13;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h3,6-11,13,15-16,20,29H,2,4-5,12,14H2,1H3;2-8,10-11H,9H2,1H3;2-7H,11H2,1H3;1-3H;5-7H,1-4H2/t16-,20?;;;;5-/m0...0/s1
InChIKeyHAIFJAHGRJMEEV-BWRHRVAISA-N
MW1205.66 g/mol
LogP10.09
Rot. Bonds12

About 2-chloro-4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1R)-2-[4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(4-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol

2-chloro-4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1R)-2-[4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(4-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol (PubChem CID 167579792) has the molecular formula C61H64Cl3N17O4 and a molecular weight of 1205.66 g/mol. Its IUPAC name is 2-chloro-4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1R)-2-[4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(4-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name2-chloro-4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1R)-2-[4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(4-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol
PubChem CID167579792
Molecular FormulaC61H64Cl3N17O4
Molecular Weight1205.66 g/mol
Exact Mass1203.44
IUPAC Name2-chloro-4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1R)-2-[4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(4-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol
SMILESCOc1ccc(-n2cnc(Cc3nc(C4CCC[C@H]4CO)nn4cccc34)c2)cc1.COc1ccc(-n2cnc(Cc3nc(Cl)nn4cccc34)c2)cc1.Cc1ccc(-n2cnc(N)c2)cc1.Clc1nc(Cl)c2cccn2n1.OC[C@@H]1CCCN1
InChIInChI=1S/C23H25N5O2.C17H14ClN5O.C10H11N3.C6H3Cl2N3.C5H11NO/c1-30-19-9-7-18(8-10-19)27-13-17(24-15-27)12-21-22-6-3-11-28(22)26-23(25-21)20-5-2-4-16(20)14-29;1-24-14-6-4-13(5-7-14)22-10-12(19-11-22)9-15-16-3-2-8-23(16)21-17(18)20-15;1-8-2-4-9(5-3-8)13-6-10(11)12-7-13;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h3,6-11,13,15-16,20,29H,2,4-5,12,14H2,1H3;2-8,10-11H,9H2,1H3;2-7H,11H2,1H3;1-3H;5-7H,1-4H2/t16-,20?;;;;5-/m0...0/s1
InChIKeyHAIFJAHGRJMEEV-BWRHRVAISA-N
XLogP10.09
TPSA241.00 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001205.66
LogP ≤ 510.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 2-chloro-4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1R)-2-[4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(4-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

[3-[[[3-[[6-[Bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]quinolin-2-yl]oxymethyl]-5-(trifluoromethyl)cyclohexyl]amino]methyl]-4-chloro-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 129035502
N-(4-chlorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrazin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine
CID 157131555
6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;6-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157437117
[4-chloro-3-[[[(2S)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[(4,4-difluoropentylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
CID 158270317
4-N-[4-(difluoromethoxy)phenyl]-6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-[[2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;N-[4-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine
CID 158423032
[3-[4-amino-6-[4-(difluoromethoxy)anilino]-5-fluoropyrimidin-2-yl]-5-fluoropyrazolo[1,5-a]pyridin-2-yl]methanol;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4,6-diamine;2-(2-methylsulfanylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 159001930
[6-[6-(2,4-dimethylpentan-3-ylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 159126136
2-ethyl-1-[[6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-yl]methyl]-4,5,6,7-tetrahydroisoindole;6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-3-[(2R)-2-(5-methyl-2-pyridinyl)butyl]pyridazine;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-(pentan-3-ylamino)pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 159148274
6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazin-2-amine;6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;[6-fluoro-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol
CID 159204752
[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[2-(2,2-difluoropropoxy)ethylamino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
CID 160342545
2-[4-[[3-(3-Chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;2-[4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol
CID 160934089
2-[[6-[4-(difluoromethoxy)anilino]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-yl]amino]ethanol;N-[4-(difluoromethoxy)phenyl]-2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;4-N-[4-(difluoromethoxy)phenyl]-6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;N-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine;2-[[2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;N-[4-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine
CID 163612273

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1R)-2-[4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(4-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol?
The IUPAC name of 2-chloro-4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1R)-2-[4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(4-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol (CID 167579792) is 2-chloro-4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1R)-2-[4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(4-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol.
What is the SMILES notation for 2-chloro-4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1R)-2-[4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(4-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol?
The canonical SMILES for 2-chloro-4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1R)-2-[4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(4-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol is COc1ccc(-n2cnc(Cc3nc(C4CCC[C@H]4CO)nn4cccc34)c2)cc1.COc1ccc(-n2cnc(Cc3nc(Cl)nn4cccc34)c2)cc1.Cc1ccc(-n2cnc(N)c2)cc1.Clc1nc(Cl)c2cccn2n1.OC[C@@H]1CCCN1.
What is the InChIKey of 2-chloro-4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1R)-2-[4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(4-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol?
The InChIKey is HAIFJAHGRJMEEV-BWRHRVAISA-N. The full InChI is InChI=1S/C23H25N5O2.C17H14ClN5O.C10H11N3.C6H3Cl2N3.C5H11NO/c1-30-19-9-7-18(8-10-19)27-13-17(24-15-27)12-21-22-6-3-11-28(22)26-23(25-21)20-5-2-4-16(20)14-29;1-24-14-6-4-13(5-7-14)22-10-12(19-11-22)9-15-16-3-2-8-23(16)21-17(18)20-15;1-8-2-4-9(5-3-8)13-6-10(11)12-7-13;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h3,6-11,13,15-16,20,29H,2,4-5,12,14H2,1H3;2-8,10-11H,9H2,1H3;2-7H,11H2,1H3;1-3H;5-7H,1-4H2/t16-,20?;;;;5-/m0...0/s1.
What are the key properties of 2-chloro-4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1R)-2-[4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(4-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol?
2-chloro-4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1R)-2-[4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(4-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol has a molecular weight of 1205.66 g/mol, XLogP of 10.09, 12 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(1R)-2-[4-[[1-(4-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(4-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 167579792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).