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

C75H70ClFN18O6 — CID 157072901

IUPAC4-[4-[2-chloro-3-[(4-methylphenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[2-fluoro-5-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide
SMILESCCn1cc(-c2cc(NC(=O)Nc3ccc(C)cc3)ccc2F)c(-c2ccnc(C(N)=O)c2)n1.CCn1cc(-c2cccc(NC(=O)Nc3ccc(C)cc3)c2)c(-c2ccnc(C(N)=O)c2)n1.CCn1cc(-c2cccc(NC(=O)Nc3ccc(C)cc3)c2Cl)c(-c2ccnc(C(N)=O)c2)n1
InChIInChI=1S/C25H23ClN6O2.C25H23FN6O2.C25H24N6O2/c1-3-32-14-19(23(31-32)16-11-12-28-21(13-16)24(27)33)18-5-4-6-20(22(18)26)30-25(34)29-17-9-7-15(2)8-10-17;1-3-32-14-20(23(31-32)16-10-11-28-22(12-16)24(27)33)19-13-18(8-9-21(19)26)30-25(34)29-17-6-4-15(2)5-7-17;1-3-31-15-21(23(30-31)18-11-12-27-22(14-18)24(26)32)17-5-4-6-20(13-17)29-25(33)28-19-9-7-16(2)8-10-19/h2*4-14H,3H2,1-2H3,(H2,27,33)(H2,29,30,34);4-15H,3H2,1-2H3,(H2,26,32)(H2,28,29,33)
InChIKeyACQHOJPOPLKJBC-UHFFFAOYSA-N
MW1373.96 g/mol
LogP14.84
Rot. Bonds18

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

4-[4-[2-chloro-3-[(4-methylphenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[2-fluoro-5-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide (PubChem CID 157072901) has the molecular formula C75H70ClFN18O6 and a molecular weight of 1373.96 g/mol. Its IUPAC name is 4-[4-[2-chloro-3-[(4-methylphenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[2-fluoro-5-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[2-chloro-3-[(4-methylphenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[2-fluoro-5-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide
PubChem CID157072901
Molecular FormulaC75H70ClFN18O6
Molecular Weight1373.96 g/mol
Exact Mass1372.54
IUPAC Name4-[4-[2-chloro-3-[(4-methylphenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[2-fluoro-5-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide
SMILESCCn1cc(-c2cc(NC(=O)Nc3ccc(C)cc3)ccc2F)c(-c2ccnc(C(N)=O)c2)n1.CCn1cc(-c2cccc(NC(=O)Nc3ccc(C)cc3)c2)c(-c2ccnc(C(N)=O)c2)n1.CCn1cc(-c2cccc(NC(=O)Nc3ccc(C)cc3)c2Cl)c(-c2ccnc(C(N)=O)c2)n1
InChIInChI=1S/C25H23ClN6O2.C25H23FN6O2.C25H24N6O2/c1-3-32-14-19(23(31-32)16-11-12-28-21(13-16)24(27)33)18-5-4-6-20(22(18)26)30-25(34)29-17-9-7-15(2)8-10-17;1-3-32-14-20(23(31-32)16-10-11-28-22(12-16)24(27)33)19-13-18(8-9-21(19)26)30-25(34)29-17-6-4-15(2)5-7-17;1-3-31-15-21(23(30-31)18-11-12-27-22(14-18)24(26)32)17-5-4-6-20(13-17)29-25(33)28-19-9-7-16(2)8-10-19/h2*4-14H,3H2,1-2H3,(H2,27,33)(H2,29,30,34);4-15H,3H2,1-2H3,(H2,26,32)(H2,28,29,33)
InChIKeyACQHOJPOPLKJBC-UHFFFAOYSA-N
XLogP14.84
TPSA344.79 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001373.96
LogP ≤ 514.84
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Analyze 4-[4-[2-chloro-3-[(4-methylphenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[2-fluoro-5-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-methylphenyl)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-3-[(4-methylphenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[2-fluoro-5-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[4-[2-chloro-3-[(4-methylphenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[2-fluoro-5-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide (CID 157072901) is 4-[4-[2-chloro-3-[(4-methylphenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[2-fluoro-5-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[2-chloro-3-[(4-methylphenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[2-fluoro-5-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-[2-chloro-3-[(4-methylphenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[2-fluoro-5-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide is CCn1cc(-c2cc(NC(=O)Nc3ccc(C)cc3)ccc2F)c(-c2ccnc(C(N)=O)c2)n1.CCn1cc(-c2cccc(NC(=O)Nc3ccc(C)cc3)c2)c(-c2ccnc(C(N)=O)c2)n1.CCn1cc(-c2cccc(NC(=O)Nc3ccc(C)cc3)c2Cl)c(-c2ccnc(C(N)=O)c2)n1.
What is the InChIKey of 4-[4-[2-chloro-3-[(4-methylphenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[2-fluoro-5-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide?
The InChIKey is ACQHOJPOPLKJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN6O2.C25H23FN6O2.C25H24N6O2/c1-3-32-14-19(23(31-32)16-11-12-28-21(13-16)24(27)33)18-5-4-6-20(22(18)26)30-25(34)29-17-9-7-15(2)8-10-17;1-3-32-14-20(23(31-32)16-10-11-28-22(12-16)24(27)33)19-13-18(8-9-21(19)26)30-25(34)29-17-6-4-15(2)5-7-17;1-3-31-15-21(23(30-31)18-11-12-27-22(14-18)24(26)32)17-5-4-6-20(13-17)29-25(33)28-19-9-7-16(2)8-10-19/h2*4-14H,3H2,1-2H3,(H2,27,33)(H2,29,30,34);4-15H,3H2,1-2H3,(H2,26,32)(H2,28,29,33).
What are the key properties of 4-[4-[2-chloro-3-[(4-methylphenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[2-fluoro-5-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide?
4-[4-[2-chloro-3-[(4-methylphenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[2-fluoro-5-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide has a molecular weight of 1373.96 g/mol, XLogP of 14.84, 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-3-[(4-methylphenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[2-fluoro-5-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 157072901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).