N-[4-[6-[4-(azetidine-1-carbonyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-4-chlorobenzenesulfonamide;4-chloro-N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzenesulfonamide;4-chloro-N-[4-[6-(1-propanoyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfonamide;ethyl 4-[4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C106H90Cl4N18O14S5 — CID 158235332

IUPACN-[4-[6-[4-(azetidine-1-carbonyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-4-chlorobenzenesulfonamide;4-chloro-N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzenesulfonamide;4-chloro-N-[4-[6-(1-propanoyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfonamide;ethyl 4-[4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCC(=O)N1CC=C(c2cc3c(-c4ccc(NS(=O)(=O)c5ccc(Cl)cc5)cc4)ncnn3c2)CC1.CCOC(=O)N1CC=C(c2cc3c(-c4ccc(NS(=O)(=O)c5ccc(Cl)cc5)cc4)ncnn3c2)CC1.CS(=O)(=O)c1ccc(-c2cc3c(-c4ccc(NS(=O)(=O)c5ccc(Cl)cc5)cc4)nccn3c2)cc1.O=C(c1ccc(-c2cc3c(-c4ccc(NS(=O)(=O)c5ccc(Cl)cc5)cc4)ncnn3c2)cc1)N1CCC1
InChIInChI=1S/C28H22ClN5O3S.C26H24ClN5O4S.C26H24ClN5O3S.C26H20ClN3O4S2/c29-23-8-12-25(13-9-23)38(36,37)32-24-10-6-20(7-11-24)27-26-16-22(17-34(26)31-18-30-27)19-2-4-21(5-3-19)28(35)33-14-1-15-33;1-2-36-26(33)31-13-11-18(12-14-31)20-15-24-25(28-17-29-32(24)16-20)19-3-7-22(8-4-19)30-37(34,35)23-9-5-21(27)6-10-23;1-2-25(33)31-13-11-18(12-14-31)20-15-24-26(28-17-29-32(24)16-20)19-3-7-22(8-4-19)30-36(34,35)23-9-5-21(27)6-10-23;1-35(31,32)23-10-4-18(5-11-23)20-16-25-26(28-14-15-30(25)17-20)19-2-8-22(9-3-19)29-36(33,34)24-12-6-21(27)7-13-24/h2-13,16-18,32H,1,14-15H2;3-11,15-17,30H,2,12-14H2,1H3;3-11,15-17,30H,2,12-14H2,1H3;2-17,29H,1H3
InChIKeyGEWVRCCNGMTOJJ-UHFFFAOYSA-N
MW2142.14 g/mol
LogP20.86
Rot. Bonds24

About N-[4-[6-[4-(azetidine-1-carbonyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-4-chlorobenzenesulfonamide;4-chloro-N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzenesulfonamide;4-chloro-N-[4-[6-(1-propanoyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfonamide;ethyl 4-[4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

N-[4-[6-[4-(azetidine-1-carbonyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-4-chlorobenzenesulfonamide;4-chloro-N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzenesulfonamide;4-chloro-N-[4-[6-(1-propanoyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfonamide;ethyl 4-[4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 158235332) has the molecular formula C106H90Cl4N18O14S5 and a molecular weight of 2142.14 g/mol. Its IUPAC name is N-[4-[6-[4-(azetidine-1-carbonyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-4-chlorobenzenesulfonamide;4-chloro-N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzenesulfonamide;4-chloro-N-[4-[6-(1-propanoyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfonamide;ethyl 4-[4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound NameN-[4-[6-[4-(azetidine-1-carbonyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-4-chlorobenzenesulfonamide;4-chloro-N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzenesulfonamide;4-chloro-N-[4-[6-(1-propanoyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfonamide;ethyl 4-[4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID158235332
Molecular FormulaC106H90Cl4N18O14S5
Molecular Weight2142.14 g/mol
Exact Mass2138.42
IUPAC NameN-[4-[6-[4-(azetidine-1-carbonyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-4-chlorobenzenesulfonamide;4-chloro-N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzenesulfonamide;4-chloro-N-[4-[6-(1-propanoyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfonamide;ethyl 4-[4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCC(=O)N1CC=C(c2cc3c(-c4ccc(NS(=O)(=O)c5ccc(Cl)cc5)cc4)ncnn3c2)CC1.CCOC(=O)N1CC=C(c2cc3c(-c4ccc(NS(=O)(=O)c5ccc(Cl)cc5)cc4)ncnn3c2)CC1.CS(=O)(=O)c1ccc(-c2cc3c(-c4ccc(NS(=O)(=O)c5ccc(Cl)cc5)cc4)nccn3c2)cc1.O=C(c1ccc(-c2cc3c(-c4ccc(NS(=O)(=O)c5ccc(Cl)cc5)cc4)ncnn3c2)cc1)N1CCC1
InChIInChI=1S/C28H22ClN5O3S.C26H24ClN5O4S.C26H24ClN5O3S.C26H20ClN3O4S2/c29-23-8-12-25(13-9-23)38(36,37)32-24-10-6-20(7-11-24)27-26-16-22(17-34(26)31-18-30-27)19-2-4-21(5-3-19)28(35)33-14-1-15-33;1-2-36-26(33)31-13-11-18(12-14-31)20-15-24-25(28-17-29-32(24)16-20)19-3-7-22(8-4-19)30-37(34,35)23-9-5-21(27)6-10-23;1-2-25(33)31-13-11-18(12-14-31)20-15-24-26(28-17-29-32(24)16-20)19-3-7-22(8-4-19)30-36(34,35)23-9-5-21(27)6-10-23;1-35(31,32)23-10-4-18(5-11-23)20-16-25-26(28-14-15-30(25)17-20)19-2-8-22(9-3-19)29-36(33,34)24-12-6-21(27)7-13-24/h2-13,16-18,32H,1,14-15H2;3-11,15-17,30H,2,12-14H2,1H3;3-11,15-17,30H,2,12-14H2,1H3;2-17,29H,1H3
InChIKeyGEWVRCCNGMTOJJ-UHFFFAOYSA-N
XLogP20.86
TPSA396.85 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002142.14
LogP ≤ 520.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze N-[4-[6-[4-(azetidine-1-carbonyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-4-chlorobenzenesulfonamide;4-chloro-N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzenesulfonamide;4-chloro-N-[4-[6-(1-propanoyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfonamide;ethyl 4-[4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

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Related Compounds

N-[4-[6-[4-[[6-[4-(azetidine-1-carbonyl)phenyl]-4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methylsulfonyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-4-chlorobenzenesulfonamide
CID 126537976
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-imidazol-1-ylethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(4-methylimidazol-1-yl)ethylsulfonyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(3-methyl-1,2,4-triazol-1-yl)ethylsulfonyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-pyrazol-1-ylethylsulfonyl)benzamide
CID 159919796

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[4-(azetidine-1-carbonyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-4-chlorobenzenesulfonamide;4-chloro-N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzenesulfonamide;4-chloro-N-[4-[6-(1-propanoyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfonamide;ethyl 4-[4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of N-[4-[6-[4-(azetidine-1-carbonyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-4-chlorobenzenesulfonamide;4-chloro-N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzenesulfonamide;4-chloro-N-[4-[6-(1-propanoyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfonamide;ethyl 4-[4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 158235332) is N-[4-[6-[4-(azetidine-1-carbonyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-4-chlorobenzenesulfonamide;4-chloro-N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzenesulfonamide;4-chloro-N-[4-[6-(1-propanoyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfonamide;ethyl 4-[4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for N-[4-[6-[4-(azetidine-1-carbonyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-4-chlorobenzenesulfonamide;4-chloro-N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzenesulfonamide;4-chloro-N-[4-[6-(1-propanoyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfonamide;ethyl 4-[4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for N-[4-[6-[4-(azetidine-1-carbonyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-4-chlorobenzenesulfonamide;4-chloro-N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzenesulfonamide;4-chloro-N-[4-[6-(1-propanoyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfonamide;ethyl 4-[4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is CCC(=O)N1CC=C(c2cc3c(-c4ccc(NS(=O)(=O)c5ccc(Cl)cc5)cc4)ncnn3c2)CC1.CCOC(=O)N1CC=C(c2cc3c(-c4ccc(NS(=O)(=O)c5ccc(Cl)cc5)cc4)ncnn3c2)CC1.CS(=O)(=O)c1ccc(-c2cc3c(-c4ccc(NS(=O)(=O)c5ccc(Cl)cc5)cc4)nccn3c2)cc1.O=C(c1ccc(-c2cc3c(-c4ccc(NS(=O)(=O)c5ccc(Cl)cc5)cc4)ncnn3c2)cc1)N1CCC1.
What is the InChIKey of N-[4-[6-[4-(azetidine-1-carbonyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-4-chlorobenzenesulfonamide;4-chloro-N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzenesulfonamide;4-chloro-N-[4-[6-(1-propanoyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfonamide;ethyl 4-[4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is GEWVRCCNGMTOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClN5O3S.C26H24ClN5O4S.C26H24ClN5O3S.C26H20ClN3O4S2/c29-23-8-12-25(13-9-23)38(36,37)32-24-10-6-20(7-11-24)27-26-16-22(17-34(26)31-18-30-27)19-2-4-21(5-3-19)28(35)33-14-1-15-33;1-2-36-26(33)31-13-11-18(12-14-31)20-15-24-25(28-17-29-32(24)16-20)19-3-7-22(8-4-19)30-37(34,35)23-9-5-21(27)6-10-23;1-2-25(33)31-13-11-18(12-14-31)20-15-24-26(28-17-29-32(24)16-20)19-3-7-22(8-4-19)30-36(34,35)23-9-5-21(27)6-10-23;1-35(31,32)23-10-4-18(5-11-23)20-16-25-26(28-14-15-30(25)17-20)19-2-8-22(9-3-19)29-36(33,34)24-12-6-21(27)7-13-24/h2-13,16-18,32H,1,14-15H2;3-11,15-17,30H,2,12-14H2,1H3;3-11,15-17,30H,2,12-14H2,1H3;2-17,29H,1H3.
What are the key properties of N-[4-[6-[4-(azetidine-1-carbonyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-4-chlorobenzenesulfonamide;4-chloro-N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzenesulfonamide;4-chloro-N-[4-[6-(1-propanoyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfonamide;ethyl 4-[4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
N-[4-[6-[4-(azetidine-1-carbonyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-4-chlorobenzenesulfonamide;4-chloro-N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzenesulfonamide;4-chloro-N-[4-[6-(1-propanoyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfonamide;ethyl 4-[4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 2142.14 g/mol, XLogP of 20.86, 24 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[4-(azetidine-1-carbonyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-4-chlorobenzenesulfonamide;4-chloro-N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzenesulfonamide;4-chloro-N-[4-[6-(1-propanoyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfonamide;ethyl 4-[4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 158235332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).