2-chloro-4-[[1-(3-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-(3-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(3-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol

C61H64Cl3N17O4 — CID 167602882

IUPAC2-chloro-4-[[1-(3-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-(3-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(3-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol
SMILESCOc1cccc(-n2cnc(Cc3nc(C4CCC[C@H]4CO)nn4cccc34)c2)c1.COc1cccc(-n2cnc(Cc3nc(Cl)nn4cccc34)c2)c1.Cc1cccc(-n2cnc(N)c2)c1.Clc1nc(Cl)c2cccn2n1.OC[C@@H]1CCCN1
InChIInChI=1S/C23H25N5O2.C17H14ClN5O.C10H11N3.C6H3Cl2N3.C5H11NO/c1-30-19-7-3-6-18(12-19)27-13-17(24-15-27)11-21-22-9-4-10-28(22)26-23(25-21)20-8-2-5-16(20)14-29;1-24-14-5-2-4-13(9-14)22-10-12(19-11-22)8-15-16-6-3-7-23(16)21-17(18)20-15;1-8-3-2-4-9(5-8)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/h3-4,6-7,9-10,12-13,15-16,20,29H,2,5,8,11,14H2,1H3;2-7,9-11H,8H2,1H3;2-7H,11H2,1H3;1-3H;5-7H,1-4H2/t16-,20?;;;;5-/m0...0/s1
InChIKeyJZAPCONQNUQHNP-BWRHRVAISA-N
MW1205.66 g/mol
LogP10.09
Rot. Bonds12

About 2-chloro-4-[[1-(3-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-(3-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(3-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol

2-chloro-4-[[1-(3-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-(3-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(3-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol (PubChem CID 167602882) has the molecular formula C61H64Cl3N17O4 and a molecular weight of 1205.66 g/mol. Its IUPAC name is 2-chloro-4-[[1-(3-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-(3-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(3-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name2-chloro-4-[[1-(3-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-(3-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(3-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol
PubChem CID167602882
Molecular FormulaC61H64Cl3N17O4
Molecular Weight1205.66 g/mol
Exact Mass1203.44
IUPAC Name2-chloro-4-[[1-(3-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-(3-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(3-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol
SMILESCOc1cccc(-n2cnc(Cc3nc(C4CCC[C@H]4CO)nn4cccc34)c2)c1.COc1cccc(-n2cnc(Cc3nc(Cl)nn4cccc34)c2)c1.Cc1cccc(-n2cnc(N)c2)c1.Clc1nc(Cl)c2cccn2n1.OC[C@@H]1CCCN1
InChIInChI=1S/C23H25N5O2.C17H14ClN5O.C10H11N3.C6H3Cl2N3.C5H11NO/c1-30-19-7-3-6-18(12-19)27-13-17(24-15-27)11-21-22-9-4-10-28(22)26-23(25-21)20-8-2-5-16(20)14-29;1-24-14-5-2-4-13(9-14)22-10-12(19-11-22)8-15-16-6-3-7-23(16)21-17(18)20-15;1-8-3-2-4-9(5-8)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/h3-4,6-7,9-10,12-13,15-16,20,29H,2,5,8,11,14H2,1H3;2-7,9-11H,8H2,1H3;2-7H,11H2,1H3;1-3H;5-7H,1-4H2/t16-,20?;;;;5-/m0...0/s1
InChIKeyJZAPCONQNUQHNP-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-(3-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-(3-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(3-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
[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
5-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-[1-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;(3R)-1-[2-[(2-methyl-4-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]piperidin-3-ol;N-(2-methyl-4-pyridinyl)-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 158871886
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
2-chloro-7,7-difluoro-5,6-dihydrocyclopenta[b]pyridine;5-chloro-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-methoxy-4-(2-methyltriazol-4-yl)benzene-1,2-diamine;N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-(2-phenylethyl)imidazo[4,5-b]pyridin-7-amine;7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridine-5,7-diamine;phenylmethanamine
CID 159654165
[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-chloro-N-[1-[3-methyl-5-(trifluoromethoxy)phenyl]imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-[3-methyl-5-(trifluoromethoxy)phenyl]imidazol-4-amine;[(2S)-1-[4-[[1-[3-methyl-5-(trifluoromethoxy)phenyl]imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol
CID 167546762
[(2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol;[(2S)-1-[2-[[1-(3-methylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrrolidin-2-yl]methanol;1-[3-(trifluoromethoxy)phenyl]imidazol-4-amine
CID 167549187
2-chloro-N-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1,4-dinitroimidazole;methanol;molecular hydrogen;4-nitro-1-[4-(trifluoromethoxy)phenyl]imidazole;[(2S)-pyrrolidin-2-yl]methanol;4-(trifluoromethoxy)aniline;1-[4-(trifluoromethoxy)phenyl]imidazol-4-amine;[(2S)-1-[4-[[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
CID 167608003
[(2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol;[(2S)-1-[2-[[1-(3,4-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrrolidin-2-yl]methanol;1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-amine
CID 167633732
[(2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol;[(2S)-1-[2-[[1-(3,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrrolidin-2-yl]methanol;1-[3-methyl-5-(trifluoromethoxy)phenyl]imidazol-4-amine
CID 167642695
2-chloro-N-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol
CID 167649614

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[1-(3-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-(3-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(3-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol?
The IUPAC name of 2-chloro-4-[[1-(3-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-(3-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(3-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol (CID 167602882) is 2-chloro-4-[[1-(3-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-(3-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(3-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol.
What is the SMILES notation for 2-chloro-4-[[1-(3-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-(3-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(3-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol?
The canonical SMILES for 2-chloro-4-[[1-(3-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-(3-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(3-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol is COc1cccc(-n2cnc(Cc3nc(C4CCC[C@H]4CO)nn4cccc34)c2)c1.COc1cccc(-n2cnc(Cc3nc(Cl)nn4cccc34)c2)c1.Cc1cccc(-n2cnc(N)c2)c1.Clc1nc(Cl)c2cccn2n1.OC[C@@H]1CCCN1.
What is the InChIKey of 2-chloro-4-[[1-(3-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-(3-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(3-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol?
The InChIKey is JZAPCONQNUQHNP-BWRHRVAISA-N. The full InChI is InChI=1S/C23H25N5O2.C17H14ClN5O.C10H11N3.C6H3Cl2N3.C5H11NO/c1-30-19-7-3-6-18(12-19)27-13-17(24-15-27)11-21-22-9-4-10-28(22)26-23(25-21)20-8-2-5-16(20)14-29;1-24-14-5-2-4-13(9-14)22-10-12(19-11-22)8-15-16-6-3-7-23(16)21-17(18)20-15;1-8-3-2-4-9(5-8)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/h3-4,6-7,9-10,12-13,15-16,20,29H,2,5,8,11,14H2,1H3;2-7,9-11H,8H2,1H3;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-(3-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-(3-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(3-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol?
2-chloro-4-[[1-(3-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-(3-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(3-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-(3-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-(3-methoxyphenyl)imidazol-4-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopentyl]methanol;1-(3-methylphenyl)imidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 167602882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).