5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-4-ylpyrazole-4-carboxamide;5-anilino-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;ethyl 3-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]cyclohexane-1-carboxylate

C82H86N16O8 — CID 159691314

IUPAC5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-4-ylpyrazole-4-carboxamide;5-anilino-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;ethyl 3-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC(n2nc(-c3ccc(CNC(=O)c4ccccc4C)cc3)c(C(N)=O)c2N)C1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(-c3ccncc3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCCC3)c(Nc3ccccc3)c2C(N)=O)cc1
InChIInChI=1S/C30H31N5O2.C28H33N5O4.C24H22N6O2/c1-20-9-5-8-14-25(20)30(37)32-19-21-15-17-22(18-16-21)27-26(28(31)36)29(33-23-10-3-2-4-11-23)35(34-27)24-12-6-7-13-24;1-3-37-28(36)20-8-6-9-21(15-20)33-25(29)23(26(30)34)24(32-33)19-13-11-18(12-14-19)16-31-27(35)22-10-5-4-7-17(22)2;1-15-4-2-3-5-19(15)24(32)28-14-16-6-8-17(9-7-16)21-20(23(26)31)22(25)30(29-21)18-10-12-27-13-11-18/h2-5,8-11,14-18,24,33H,6-7,12-13,19H2,1H3,(H2,31,36)(H,32,37);4-5,7,10-14,20-21H,3,6,8-9,15-16,29H2,1-2H3,(H2,30,34)(H,31,35);2-13H,14,25H2,1H3,(H2,26,31)(H,28,32)
InChIKeyMWLHUNVHZHBEIP-UHFFFAOYSA-N
MW1423.69 g/mol
LogP12.36
Rot. Bonds22

About 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-4-ylpyrazole-4-carboxamide;5-anilino-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;ethyl 3-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]cyclohexane-1-carboxylate

5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-4-ylpyrazole-4-carboxamide;5-anilino-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;ethyl 3-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]cyclohexane-1-carboxylate (PubChem CID 159691314) has the molecular formula C82H86N16O8 and a molecular weight of 1423.69 g/mol. Its IUPAC name is 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-4-ylpyrazole-4-carboxamide;5-anilino-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;ethyl 3-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-4-ylpyrazole-4-carboxamide;5-anilino-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;ethyl 3-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]cyclohexane-1-carboxylate
PubChem CID159691314
Molecular FormulaC82H86N16O8
Molecular Weight1423.69 g/mol
Exact Mass1422.68
IUPAC Name5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-4-ylpyrazole-4-carboxamide;5-anilino-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;ethyl 3-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC(n2nc(-c3ccc(CNC(=O)c4ccccc4C)cc3)c(C(N)=O)c2N)C1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(-c3ccncc3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCCC3)c(Nc3ccccc3)c2C(N)=O)cc1
InChIInChI=1S/C30H31N5O2.C28H33N5O4.C24H22N6O2/c1-20-9-5-8-14-25(20)30(37)32-19-21-15-17-22(18-16-21)27-26(28(31)36)29(33-23-10-3-2-4-11-23)35(34-27)24-12-6-7-13-24;1-3-37-28(36)20-8-6-9-21(15-20)33-25(29)23(26(30)34)24(32-33)19-13-11-18(12-14-19)16-31-27(35)22-10-5-4-7-17(22)2;1-15-4-2-3-5-19(15)24(32)28-14-16-6-8-17(9-7-16)21-20(23(26)31)22(25)30(29-21)18-10-12-27-13-11-18/h2-5,8-11,14-18,24,33H,6-7,12-13,19H2,1H3,(H2,31,36)(H,32,37);4-5,7,10-14,20-21H,3,6,8-9,15-16,29H2,1-2H3,(H2,30,34)(H,31,35);2-13H,14,25H2,1H3,(H2,26,31)(H,28,32)
InChIKeyMWLHUNVHZHBEIP-UHFFFAOYSA-N
XLogP12.36
TPSA373.29 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001423.69
LogP ≤ 512.36
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Analyze 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-4-ylpyrazole-4-carboxamide;5-anilino-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;ethyl 3-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]cyclohexane-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-4-ylpyrazole-4-carboxamide;5-anilino-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;ethyl 3-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]cyclohexane-1-carboxylate?
The IUPAC name of 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-4-ylpyrazole-4-carboxamide;5-anilino-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;ethyl 3-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]cyclohexane-1-carboxylate (CID 159691314) is 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-4-ylpyrazole-4-carboxamide;5-anilino-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;ethyl 3-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-4-ylpyrazole-4-carboxamide;5-anilino-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;ethyl 3-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]cyclohexane-1-carboxylate?
The canonical SMILES for 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-4-ylpyrazole-4-carboxamide;5-anilino-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;ethyl 3-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]cyclohexane-1-carboxylate is CCOC(=O)C1CCCC(n2nc(-c3ccc(CNC(=O)c4ccccc4C)cc3)c(C(N)=O)c2N)C1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(-c3ccncc3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCCC3)c(Nc3ccccc3)c2C(N)=O)cc1.
What is the InChIKey of 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-4-ylpyrazole-4-carboxamide;5-anilino-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;ethyl 3-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]cyclohexane-1-carboxylate?
The InChIKey is MWLHUNVHZHBEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O2.C28H33N5O4.C24H22N6O2/c1-20-9-5-8-14-25(20)30(37)32-19-21-15-17-22(18-16-21)27-26(28(31)36)29(33-23-10-3-2-4-11-23)35(34-27)24-12-6-7-13-24;1-3-37-28(36)20-8-6-9-21(15-20)33-25(29)23(26(30)34)24(32-33)19-13-11-18(12-14-19)16-31-27(35)22-10-5-4-7-17(22)2;1-15-4-2-3-5-19(15)24(32)28-14-16-6-8-17(9-7-16)21-20(23(26)31)22(25)30(29-21)18-10-12-27-13-11-18/h2-5,8-11,14-18,24,33H,6-7,12-13,19H2,1H3,(H2,31,36)(H,32,37);4-5,7,10-14,20-21H,3,6,8-9,15-16,29H2,1-2H3,(H2,30,34)(H,31,35);2-13H,14,25H2,1H3,(H2,26,31)(H,28,32).
What are the key properties of 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-4-ylpyrazole-4-carboxamide;5-anilino-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;ethyl 3-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]cyclohexane-1-carboxylate?
5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-4-ylpyrazole-4-carboxamide;5-anilino-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;ethyl 3-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]cyclohexane-1-carboxylate has a molecular weight of 1423.69 g/mol, XLogP of 12.36, 22 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-4-ylpyrazole-4-carboxamide;5-anilino-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;ethyl 3-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 159691314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).