4-[4-[2-chloro-5-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-fluorophenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide

C72H59Cl2F5N18O6 — CID 157473066

IUPAC4-[4-[2-chloro-5-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-fluorophenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide
SMILESCCn1cc(-c2cc(Cl)cc(NC(=O)Nc3ccc(F)cc3)c2F)c(-c2ccnc(C(N)=O)c2)n1.CCn1cc(-c2cc(F)cc(NC(=O)Nc3ccc(F)cc3)c2Cl)c(-c2ccnc(C(N)=O)c2)n1.CCn1cc(-c2cccc(NC(=O)Nc3ccc(F)cc3)c2)c(-c2ccnc(C(N)=O)c2)n1
InChIInChI=1S/2C24H19ClF2N6O2.C24H21FN6O2/c1-2-33-12-18(22(32-33)13-7-8-29-20(9-13)23(28)34)17-10-14(25)11-19(21(17)27)31-24(35)30-16-5-3-15(26)4-6-16;1-2-33-12-18(22(32-33)13-7-8-29-20(9-13)23(28)34)17-10-15(27)11-19(21(17)25)31-24(35)30-16-5-3-14(26)4-6-16;1-2-31-14-20(22(30-31)16-10-11-27-21(13-16)23(26)32)15-4-3-5-19(12-15)29-24(33)28-18-8-6-17(25)7-9-18/h2*3-12H,2H2,1H3,(H2,28,34)(H2,30,31,35);3-14H,2H2,1H3,(H2,26,32)(H2,28,29,33)
InChIKeyBVGPTKGBSNJQSS-UHFFFAOYSA-N
MW1438.28 g/mol
LogP15.13
Rot. Bonds18

About 4-[4-[2-chloro-5-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-fluorophenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide

4-[4-[2-chloro-5-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-fluorophenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide (PubChem CID 157473066) has the molecular formula C72H59Cl2F5N18O6 and a molecular weight of 1438.28 g/mol. Its IUPAC name is 4-[4-[2-chloro-5-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-fluorophenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[2-chloro-5-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-fluorophenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide
PubChem CID157473066
Molecular FormulaC72H59Cl2F5N18O6
Molecular Weight1438.28 g/mol
Exact Mass1436.42
IUPAC Name4-[4-[2-chloro-5-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-fluorophenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide
SMILESCCn1cc(-c2cc(Cl)cc(NC(=O)Nc3ccc(F)cc3)c2F)c(-c2ccnc(C(N)=O)c2)n1.CCn1cc(-c2cc(F)cc(NC(=O)Nc3ccc(F)cc3)c2Cl)c(-c2ccnc(C(N)=O)c2)n1.CCn1cc(-c2cccc(NC(=O)Nc3ccc(F)cc3)c2)c(-c2ccnc(C(N)=O)c2)n1
InChIInChI=1S/2C24H19ClF2N6O2.C24H21FN6O2/c1-2-33-12-18(22(32-33)13-7-8-29-20(9-13)23(28)34)17-10-14(25)11-19(21(17)27)31-24(35)30-16-5-3-15(26)4-6-16;1-2-33-12-18(22(32-33)13-7-8-29-20(9-13)23(28)34)17-10-15(27)11-19(21(17)25)31-24(35)30-16-5-3-14(26)4-6-16;1-2-31-14-20(22(30-31)16-10-11-27-21(13-16)23(26)32)15-4-3-5-19(12-15)29-24(33)28-18-8-6-17(25)7-9-18/h2*3-12H,2H2,1H3,(H2,28,34)(H2,30,31,35);3-14H,2H2,1H3,(H2,26,32)(H2,28,29,33)
InChIKeyBVGPTKGBSNJQSS-UHFFFAOYSA-N
XLogP15.13
TPSA344.79 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001438.28
LogP ≤ 515.13
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Analyze 4-[4-[2-chloro-5-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-fluorophenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-chloro-5-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-fluorophenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[4-[2-chloro-5-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-fluorophenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide (CID 157473066) is 4-[4-[2-chloro-5-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-fluorophenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[2-chloro-5-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-fluorophenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-[2-chloro-5-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-fluorophenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide is CCn1cc(-c2cc(Cl)cc(NC(=O)Nc3ccc(F)cc3)c2F)c(-c2ccnc(C(N)=O)c2)n1.CCn1cc(-c2cc(F)cc(NC(=O)Nc3ccc(F)cc3)c2Cl)c(-c2ccnc(C(N)=O)c2)n1.CCn1cc(-c2cccc(NC(=O)Nc3ccc(F)cc3)c2)c(-c2ccnc(C(N)=O)c2)n1.
What is the InChIKey of 4-[4-[2-chloro-5-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-fluorophenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide?
The InChIKey is BVGPTKGBSNJQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H19ClF2N6O2.C24H21FN6O2/c1-2-33-12-18(22(32-33)13-7-8-29-20(9-13)23(28)34)17-10-14(25)11-19(21(17)27)31-24(35)30-16-5-3-15(26)4-6-16;1-2-33-12-18(22(32-33)13-7-8-29-20(9-13)23(28)34)17-10-15(27)11-19(21(17)25)31-24(35)30-16-5-3-14(26)4-6-16;1-2-31-14-20(22(30-31)16-10-11-27-21(13-16)23(26)32)15-4-3-5-19(12-15)29-24(33)28-18-8-6-17(25)7-9-18/h2*3-12H,2H2,1H3,(H2,28,34)(H2,30,31,35);3-14H,2H2,1H3,(H2,26,32)(H2,28,29,33).
What are the key properties of 4-[4-[2-chloro-5-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-fluorophenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide?
4-[4-[2-chloro-5-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-fluorophenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide has a molecular weight of 1438.28 g/mol, XLogP of 15.13, 18 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-chloro-5-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-fluorophenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 157473066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).