1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide)

C86H85ClN26O4 — CID 158064710

IUPAC1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide)
SMILESCc1cn2cccc2c(N2CC[C@H](NC(=O)c3cn(-c4ccc(Cl)cc4)cn3)C2)n1.Cc1cn2cccc2c(N2CC[C@H](NC(=O)c3cn(-c4ccccc4)cn3)C2)n1.Cc1cn2cccc2c(N2CC[C@H](NC(=O)c3cn(-c4ccccc4)cn3)C2)n1.Cc1cn2ccnc2c(N2CC[C@H](NC(=O)c3ncn(-c4ccccc4)n3)C2)n1
InChIInChI=1S/C22H21ClN6O.2C22H22N6O.C20H20N8O/c1-15-11-27-9-2-3-20(27)21(25-15)28-10-8-17(12-28)26-22(30)19-13-29(14-24-19)18-6-4-16(23)5-7-18;2*1-16-12-26-10-5-8-20(26)21(24-16)27-11-9-17(13-27)25-22(29)19-14-28(15-23-19)18-6-3-2-4-7-18;1-14-11-27-10-8-21-18(27)19(23-14)26-9-7-15(12-26)24-20(29)17-22-13-28(25-17)16-5-3-2-4-6-16/h2-7,9,11,13-14,17H,8,10,12H2,1H3,(H,26,30);2*2-8,10,12,14-15,17H,9,11,13H2,1H3,(H,25,29);2-6,8,10-11,13,15H,7,9,12H2,1H3,(H,24,29)/t3*17-;15-/m0000/s1
InChIKeyFLBSQYNNIYRCDH-UMVACMCTSA-N
MW1582.26 g/mol
LogP10.79
Rot. Bonds16

About 1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide)

1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide) (PubChem CID 158064710) has the molecular formula C86H85ClN26O4 and a molecular weight of 1582.26 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide).

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide)
PubChem CID158064710
Molecular FormulaC86H85ClN26O4
Molecular Weight1582.26 g/mol
Exact Mass1580.69
IUPAC Name1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide)
SMILESCc1cn2cccc2c(N2CC[C@H](NC(=O)c3cn(-c4ccc(Cl)cc4)cn3)C2)n1.Cc1cn2cccc2c(N2CC[C@H](NC(=O)c3cn(-c4ccccc4)cn3)C2)n1.Cc1cn2cccc2c(N2CC[C@H](NC(=O)c3cn(-c4ccccc4)cn3)C2)n1.Cc1cn2ccnc2c(N2CC[C@H](NC(=O)c3ncn(-c4ccccc4)n3)C2)n1
InChIInChI=1S/C22H21ClN6O.2C22H22N6O.C20H20N8O/c1-15-11-27-9-2-3-20(27)21(25-15)28-10-8-17(12-28)26-22(30)19-13-29(14-24-19)18-6-4-16(23)5-7-18;2*1-16-12-26-10-5-8-20(26)21(24-16)27-11-9-17(13-27)25-22(29)19-14-28(15-23-19)18-6-3-2-4-7-18;1-14-11-27-10-8-21-18(27)19(23-14)26-9-7-15(12-26)24-20(29)17-22-13-28(25-17)16-5-3-2-4-6-16/h2-7,9,11,13-14,17H,8,10,12H2,1H3,(H,26,30);2*2-8,10,12,14-15,17H,9,11,13H2,1H3,(H,25,29);2-6,8,10-11,13,15H,7,9,12H2,1H3,(H,24,29)/t3*17-;15-/m0000/s1
InChIKeyFLBSQYNNIYRCDH-UMVACMCTSA-N
XLogP10.79
TPSA295.62 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001582.26
LogP ≤ 510.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide) with MolForge

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Related Compounds

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[8-(1,2,4-triazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]triazole-4-carboxamide
CID 139487593
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxamide
CID 139487958
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-b]pyridazin-2-ylmethyl)triazole-4-carboxamide
CID 139488117
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
CID 155883685
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)triazole-4-carboxamide
CID 139487736
(S)-1-(4-chlorophenyl)-N-(1-(pyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl)-1H-1,2,4-triazole-3-carboxamide
CID 75202693
1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 90192088
1-[(8-aminoimidazo[1,2-b]pyridazin-2-yl)methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide
CID 139488183
2-(6-chloro-3-pyridinyl)-N-[(1S)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrazol-1-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;bis(4-methyl-N-[2-(4-methylcyclohexyl)propan-2-yl]-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide)
CID 158859836
6-[2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4,4-difluorocyclohexyl)-6-[(1S,2S)-2-imidazo[1,2-a]pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-imidazo[1,2-a]pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-(2-imidazo[1,2-a]pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 160083809
[8-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-cyclohexylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;6-(cyclohexen-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 164990194
6-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-b]pyridazine-2-carboxamide
CID 166009126

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide)?
The IUPAC name of 1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide) (CID 158064710) is 1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide).
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide)?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide) is Cc1cn2cccc2c(N2CC[C@H](NC(=O)c3cn(-c4ccc(Cl)cc4)cn3)C2)n1.Cc1cn2cccc2c(N2CC[C@H](NC(=O)c3cn(-c4ccccc4)cn3)C2)n1.Cc1cn2cccc2c(N2CC[C@H](NC(=O)c3cn(-c4ccccc4)cn3)C2)n1.Cc1cn2ccnc2c(N2CC[C@H](NC(=O)c3ncn(-c4ccccc4)n3)C2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide)?
The InChIKey is FLBSQYNNIYRCDH-UMVACMCTSA-N. The full InChI is InChI=1S/C22H21ClN6O.2C22H22N6O.C20H20N8O/c1-15-11-27-9-2-3-20(27)21(25-15)28-10-8-17(12-28)26-22(30)19-13-29(14-24-19)18-6-4-16(23)5-7-18;2*1-16-12-26-10-5-8-20(26)21(24-16)27-11-9-17(13-27)25-22(29)19-14-28(15-23-19)18-6-3-2-4-7-18;1-14-11-27-10-8-21-18(27)19(23-14)26-9-7-15(12-26)24-20(29)17-22-13-28(25-17)16-5-3-2-4-6-16/h2-7,9,11,13-14,17H,8,10,12H2,1H3,(H,26,30);2*2-8,10,12,14-15,17H,9,11,13H2,1H3,(H,25,29);2-6,8,10-11,13,15H,7,9,12H2,1H3,(H,24,29)/t3*17-;15-/m0000/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide)?
1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide) has a molecular weight of 1582.26 g/mol, XLogP of 10.79, 16 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]imidazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;bis(N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide) is sourced from PubChem (CID 158064710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).