4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide);N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-(4-methylphenyl)-6-[[2-(4-methyl-3H-pyrrol-2-yl)-4-pyridinyl]oxy]-3H-indol-2-amine

C130H109Cl5F7N21O16S3 — CID 160663616

IUPAC4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide);N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-(4-methylphenyl)-6-[[2-(4-methyl-3H-pyrrol-2-yl)-4-pyridinyl]oxy]-3H-indol-2-amine
SMILESCC1=CN=C(c2cc(Oc3ccc4c(c3)N=C(Nc3ccc(C)cc3)C4)ccn2)C1.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C)c3)c(F)c2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C)c3)cc2)ccn1
InChIInChI=1S/C25H22N4O.2C23H18ClF2N3O3S.C21H18ClFN4O3.C21H19ClN4O3.C17H14ClF2N3O3S/c1-16-3-6-19(7-4-16)28-25-12-18-5-8-20(13-22(18)29-25)30-21-9-10-26-24(14-21)23-11-17(2)15-27-23;2*1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13;1-12-9-13(3-5-16(12)22)26-21(29)27-18-6-4-14(10-17(18)23)30-15-7-8-25-19(11-15)20(28)24-2;1-13-11-15(5-8-18(13)22)26-21(28)25-14-3-6-16(7-4-14)29-17-9-10-24-19(12-17)20(27)23-2;1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-10,13-15H,11-12H2,1-2H3,(H,28,29);2*3-8,10-12,29H,2,9H2,1H3,(H,27,28);3-11H,1-2H3,(H,24,28)(H2,26,27,29);3-12H,1-2H3,(H,23,27)(H2,25,26,28);3-4,6-8,23H,2,5H2,1H3,(H,21,22)
InChIKeyRLZQQEMJESBNTR-UHFFFAOYSA-N
MW2627.88 g/mol
LogP30.76
Rot. Bonds34

About 4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide);N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-(4-methylphenyl)-6-[[2-(4-methyl-3H-pyrrol-2-yl)-4-pyridinyl]oxy]-3H-indol-2-amine

4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide);N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-(4-methylphenyl)-6-[[2-(4-methyl-3H-pyrrol-2-yl)-4-pyridinyl]oxy]-3H-indol-2-amine (PubChem CID 160663616) has the molecular formula C130H109Cl5F7N21O16S3 and a molecular weight of 2627.88 g/mol. Its IUPAC name is 4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide);N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-(4-methylphenyl)-6-[[2-(4-methyl-3H-pyrrol-2-yl)-4-pyridinyl]oxy]-3H-indol-2-amine.

Molecular Properties

Compound Name4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide);N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-(4-methylphenyl)-6-[[2-(4-methyl-3H-pyrrol-2-yl)-4-pyridinyl]oxy]-3H-indol-2-amine
PubChem CID160663616
Molecular FormulaC130H109Cl5F7N21O16S3
Molecular Weight2627.88 g/mol
Exact Mass2623.59
IUPAC Name4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide);N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-(4-methylphenyl)-6-[[2-(4-methyl-3H-pyrrol-2-yl)-4-pyridinyl]oxy]-3H-indol-2-amine
SMILESCC1=CN=C(c2cc(Oc3ccc4c(c3)N=C(Nc3ccc(C)cc3)C4)ccn2)C1.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C)c3)c(F)c2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C)c3)cc2)ccn1
InChIInChI=1S/C25H22N4O.2C23H18ClF2N3O3S.C21H18ClFN4O3.C21H19ClN4O3.C17H14ClF2N3O3S/c1-16-3-6-19(7-4-16)28-25-12-18-5-8-20(13-22(18)29-25)30-21-9-10-26-24(14-21)23-11-17(2)15-27-23;2*1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13;1-12-9-13(3-5-16(12)22)26-21(29)27-18-6-4-14(10-17(18)23)30-15-7-8-25-19(11-15)20(28)24-2;1-13-11-15(5-8-18(13)22)26-21(28)25-14-3-6-16(7-4-14)29-17-9-10-24-19(12-17)20(27)23-2;1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-10,13-15H,11-12H2,1-2H3,(H,28,29);2*3-8,10-12,29H,2,9H2,1H3,(H,27,28);3-11H,1-2H3,(H,24,28)(H2,26,27,29);3-12H,1-2H3,(H,23,27)(H2,25,26,28);3-4,6-8,23H,2,5H2,1H3,(H,21,22)
InChIKeyRLZQQEMJESBNTR-UHFFFAOYSA-N
XLogP30.76
TPSA519.33 Ų
H-Bond Donors13
H-Bond Acceptors25
Rotatable Bonds34
Heavy Atoms182
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002627.88
LogP ≤ 530.76
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1025

Analyze 4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide);N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-(4-methylphenyl)-6-[[2-(4-methyl-3H-pyrrol-2-yl)-4-pyridinyl]oxy]-3H-indol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide);N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-(4-methylphenyl)-6-[[2-(4-methyl-3H-pyrrol-2-yl)-4-pyridinyl]oxy]-3H-indol-2-amine?
The IUPAC name of 4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide);N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-(4-methylphenyl)-6-[[2-(4-methyl-3H-pyrrol-2-yl)-4-pyridinyl]oxy]-3H-indol-2-amine (CID 160663616) is 4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide);N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-(4-methylphenyl)-6-[[2-(4-methyl-3H-pyrrol-2-yl)-4-pyridinyl]oxy]-3H-indol-2-amine.
What is the SMILES notation for 4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide);N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-(4-methylphenyl)-6-[[2-(4-methyl-3H-pyrrol-2-yl)-4-pyridinyl]oxy]-3H-indol-2-amine?
The canonical SMILES for 4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide);N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-(4-methylphenyl)-6-[[2-(4-methyl-3H-pyrrol-2-yl)-4-pyridinyl]oxy]-3H-indol-2-amine is CC1=CN=C(c2cc(Oc3ccc4c(c3)N=C(Nc3ccc(C)cc3)C4)ccn2)C1.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C)c3)c(F)c2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C)c3)cc2)ccn1.
What is the InChIKey of 4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide);N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-(4-methylphenyl)-6-[[2-(4-methyl-3H-pyrrol-2-yl)-4-pyridinyl]oxy]-3H-indol-2-amine?
The InChIKey is RLZQQEMJESBNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O.2C23H18ClF2N3O3S.C21H18ClFN4O3.C21H19ClN4O3.C17H14ClF2N3O3S/c1-16-3-6-19(7-4-16)28-25-12-18-5-8-20(13-22(18)29-25)30-21-9-10-26-24(14-21)23-11-17(2)15-27-23;2*1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13;1-12-9-13(3-5-16(12)22)26-21(29)27-18-6-4-14(10-17(18)23)30-15-7-8-25-19(11-15)20(28)24-2;1-13-11-15(5-8-18(13)22)26-21(28)25-14-3-6-16(7-4-14)29-17-9-10-24-19(12-17)20(27)23-2;1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-10,13-15H,11-12H2,1-2H3,(H,28,29);2*3-8,10-12,29H,2,9H2,1H3,(H,27,28);3-11H,1-2H3,(H,24,28)(H2,26,27,29);3-12H,1-2H3,(H,23,27)(H2,25,26,28);3-4,6-8,23H,2,5H2,1H3,(H,21,22).
What are the key properties of 4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide);N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-(4-methylphenyl)-6-[[2-(4-methyl-3H-pyrrol-2-yl)-4-pyridinyl]oxy]-3H-indol-2-amine?
4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide);N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-(4-methylphenyl)-6-[[2-(4-methyl-3H-pyrrol-2-yl)-4-pyridinyl]oxy]-3H-indol-2-amine has a molecular weight of 2627.88 g/mol, XLogP of 30.76, 34 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;bis(N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide);N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-(4-methylphenyl)-6-[[2-(4-methyl-3H-pyrrol-2-yl)-4-pyridinyl]oxy]-3H-indol-2-amine is sourced from PubChem (CID 160663616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).